 Entering Link 1 = C:\G09W\l1.exe PID=      9188.
  
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 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
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 Cite this work as:
 Gaussian 09, Revision A.02,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, 
 G. A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H. P. Hratchian, 
 A. F. Izmaylov, J. Bloino, G. Zheng, J. L. Sonnenberg, M. Hada, 
 M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, 
 Y. Honda, O. Kitao, H. Nakai, T. Vreven, J. A. Montgomery, Jr., 
 J. E. Peralta, F. Ogliaro, M. Bearpark, J. J. Heyd, E. Brothers, 
 K. N. Kudin, V. N. Staroverov, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi, 
 M. Cossi, N. Rega, J. M. Millam, M. Klene, J. E. Knox, J. B. Cross, 
 V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, 
 O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, 
 R. L. Martin, K. Morokuma, V. G. Zakrzewski, G. A. Voth, 
 P. Salvador, J. J. Dannenberg, S. Dapprich, A. D. Daniels, 
 O. Farkas, J. B. Foresman, J. V. Ortiz, J. Cioslowski, 
 and D. J. Fox, Gaussian, Inc., Wallingford CT, 2009.
 
 ******************************************
 Gaussian 09:  IA32W-G09RevA.02 11-Jun-2009
                23-Feb-2022 
 ******************************************
 %chk=C:\Users\Alejandro Morales\Desktop\Ligands Covid\Ligandos paper 2\Dexametha
 sona.chk
 ---------------------------
 # opt pm6 geom=connectivity
 ---------------------------
 1/14=-1,18=20,19=15,26=1,38=1,57=2/1,3;
 2/9=110,12=2,17=6,18=5,40=1/2;
 3/5=2,16=1,25=1,41=3900000,71=1/1,2,3;
 4/35=1/1;
 5/5=2,35=1,38=5/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7//1,2,3,16;
 1/14=-1,18=20,19=15/3(2);
 2/9=110/2;
 99//99;
 2/9=110/2;
 3/5=2,16=1,25=1,41=3900000,71=1,135=20/1,2,3;
 4/5=5,16=3,35=1/1;
 5/5=2,35=1,38=5/2;
 7//1,2,3,16;
 1/14=-1,18=20,19=15/3(-5);
 2/9=110/2;
 6/7=2,8=2,9=2,10=2,19=2,28=1/1;
 99/9=1/99;
 -------------
 Molecule Name
 -------------
 Symbolic Z-matrix:
 Charge =  0 Multiplicity = 1
 F                     1.3287    0.0906    1.2721 
 O                    -2.9785   -0.2132    1.8253 
 O                     0.2867    2.1297   -1.4984 
 O                    -5.2894   -0.0598   -0.4983 
 O                    -5.6113    2.3761    0.752 
 O                     6.1923    0.1011    1.6437 
 C                    -1.812     0.1572   -0.2983 
 C                    -0.9003   -1.0629   -0.0426 
 C                     0.492    -0.9308   -0.6794 
 C                     1.2088    0.3314   -0.0879 
 C                    -3.1045   -0.3416    0.4132 
 C                    -1.7741   -2.2571   -0.4254 
 C                    -1.124     1.3861    0.3311 
 C                    -3.2127   -1.8333   -0.0259 
 C                     0.3184    1.6068   -0.1796 
 C                     2.6876    0.4785   -0.6239 
 C                     1.3175   -2.2069   -0.4311 
 C                    -2.0976    0.4061   -1.8055 
 C                     2.747    -2.0792   -0.9439 
 C                     3.4041   -0.8523   -0.3654 
 C                    -4.3286    0.4565    0.0704 
 C                    -3.8061   -2.7767    1.0164 
 C                     2.7827    0.7849   -2.1363 
 C                     3.391     1.6276    0.0845 
 C                     4.5244   -0.9671    0.365 
 C                    -4.3073    1.9185    0.4626 
 C                     4.5058    1.5196    0.8138 
 C                     5.1592    0.2102    0.9919 
 H                    -0.7347   -1.1522    1.0436 
 H                     0.3866   -0.8187   -1.763 
 H                    -1.7242   -2.4488   -1.5038 
 H                    -1.4493   -3.1705    0.0841 
 H                    -1.0443    1.2796    1.4179 
 H                    -1.6989    2.2947    0.1301 
 H                    -3.8274   -1.9286   -0.9304 
 H                     0.7437    2.3829    0.4689 
 H                     0.8441   -3.0626   -0.9268 
 H                     1.3362   -2.4364    0.6427 
 H                    -2.7185   -0.3763   -2.253 
 H                    -2.6252    1.354    -1.9544 
 H                    -1.1906    0.4524   -2.4112 
 H                     2.7515   -2.022    -2.0385 
 H                     3.2994   -2.9903   -0.6836 
 H                    -4.8104   -2.4518    1.3061 
 H                    -3.8839   -3.7925    0.6143 
 H                    -3.1866   -2.8228    1.9181 
 H                     2.1156    0.1591   -2.7363 
 H                     2.5519    1.8288   -2.3713 
 H                     3.8015    0.6132   -2.509 
 H                    -2.7533    0.6895    2.0873 
 H                     2.9684    2.6233   -0.0305 
 H                     0.8491    2.9226   -1.5149 
 H                     4.999    -1.9274    0.5365 
 H                    -3.9317    2.5007   -0.3823 
 H                    -3.6982    2.1369    1.3368 
 H                     4.9607    2.3856    1.2804 
 H                    -5.915     1.9091    1.5491 
 

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Initialization pass.
                           ----------------------------
                           !    Initial Parameters    !
                           ! (Angstroms and Degrees)  !
 --------------------------                            --------------------------
 ! Name  Definition              Value          Derivative Info.                !
 --------------------------------------------------------------------------------
 ! R1    R(1,10)                 1.3863         estimate D2E/DX2                !
 ! R2    R(2,11)                 1.4235         estimate D2E/DX2                !
 ! R3    R(2,50)                 0.9666         estimate D2E/DX2                !
 ! R4    R(3,15)                 1.419          estimate D2E/DX2                !
 ! R5    R(3,52)                 0.9722         estimate D2E/DX2                !
 ! R6    R(4,21)                 1.2301         estimate D2E/DX2                !
 ! R7    R(5,26)                 1.4119         estimate D2E/DX2                !
 ! R8    R(5,57)                 0.9725         estimate D2E/DX2                !
 ! R9    R(6,28)                 1.2264         estimate D2E/DX2                !
 ! R10   R(7,8)                  1.5444         estimate D2E/DX2                !
 ! R11   R(7,11)                 1.5574         estimate D2E/DX2                !
 ! R12   R(7,13)                 1.5426         estimate D2E/DX2                !
 ! R13   R(7,18)                 1.5541         estimate D2E/DX2                !
 ! R14   R(8,9)                  1.5367         estimate D2E/DX2                !
 ! R15   R(8,12)                 1.5285         estimate D2E/DX2                !
 ! R16   R(8,29)                 1.1024         estimate D2E/DX2                !
 ! R17   R(9,10)                 1.5674         estimate D2E/DX2                !
 ! R18   R(9,17)                 1.54           estimate D2E/DX2                !
 ! R19   R(9,30)                 1.0945         estimate D2E/DX2                !
 ! R20   R(10,15)                1.5582         estimate D2E/DX2                !
 ! R21   R(10,16)                1.5798         estimate D2E/DX2                !
 ! R22   R(11,14)                1.5587         estimate D2E/DX2                !
 ! R23   R(11,21)                1.501          estimate D2E/DX2                !
 ! R24   R(12,14)                1.552          estimate D2E/DX2                !
 ! R25   R(12,31)                1.0964         estimate D2E/DX2                !
 ! R26   R(12,32)                1.0952         estimate D2E/DX2                !
 ! R27   R(13,15)                1.546          estimate D2E/DX2                !
 ! R28   R(13,33)                1.0949         estimate D2E/DX2                !
 ! R29   R(13,34)                1.0938         estimate D2E/DX2                !
 ! R30   R(14,22)                1.5259         estimate D2E/DX2                !
 ! R31   R(14,35)                1.0978         estimate D2E/DX2                !
 ! R32   R(15,36)                1.0972         estimate D2E/DX2                !
 ! R33   R(16,20)                1.5334         estimate D2E/DX2                !
 ! R34   R(16,23)                1.5461         estimate D2E/DX2                !
 ! R35   R(16,24)                1.5222         estimate D2E/DX2                !
 ! R36   R(17,19)                1.5241         estimate D2E/DX2                !
 ! R37   R(17,37)                1.0964         estimate D2E/DX2                !
 ! R38   R(17,38)                1.0982         estimate D2E/DX2                !
 ! R39   R(18,39)                1.0945         estimate D2E/DX2                !
 ! R40   R(18,40)                1.095          estimate D2E/DX2                !
 ! R41   R(18,41)                1.0916         estimate D2E/DX2                !
 ! R42   R(19,20)                1.5072         estimate D2E/DX2                !
 ! R43   R(19,42)                1.0961         estimate D2E/DX2                !
 ! R44   R(19,43)                1.0968         estimate D2E/DX2                !
 ! R45   R(20,25)                1.3423         estimate D2E/DX2                !
 ! R46   R(21,26)                1.5138         estimate D2E/DX2                !
 ! R47   R(22,44)                1.0946         estimate D2E/DX2                !
 ! R48   R(22,45)                1.0953         estimate D2E/DX2                !
 ! R49   R(22,46)                1.095          estimate D2E/DX2                !
 ! R50   R(23,47)                1.0939         estimate D2E/DX2                !
 ! R51   R(23,48)                1.0946         estimate D2E/DX2                !
 ! R52   R(23,49)                1.0983         estimate D2E/DX2                !
 ! R53   R(24,27)                1.3365         estimate D2E/DX2                !
 ! R54   R(24,51)                1.0878         estimate D2E/DX2                !
 ! R55   R(25,28)                1.4772         estimate D2E/DX2                !
 ! R56   R(25,53)                1.0848         estimate D2E/DX2                !
 ! R57   R(26,54)                1.0927         estimate D2E/DX2                !
 ! R58   R(26,55)                1.0876         estimate D2E/DX2                !
 ! R59   R(27,28)                1.4742         estimate D2E/DX2                !
 ! R60   R(27,56)                1.0838         estimate D2E/DX2                !
 ! A1    A(11,2,50)            111.9475         estimate D2E/DX2                !
 ! A2    A(15,3,52)            107.6599         estimate D2E/DX2                !
 ! A3    A(26,5,57)            107.5052         estimate D2E/DX2                !
 ! A4    A(8,7,11)              99.2794         estimate D2E/DX2                !
 ! A5    A(8,7,13)             107.3683         estimate D2E/DX2                !
 ! A6    A(8,7,18)             113.3023         estimate D2E/DX2                !
 ! A7    A(11,7,13)            116.0318         estimate D2E/DX2                !
 ! A8    A(11,7,18)            109.9891         estimate D2E/DX2                !
 ! A9    A(13,7,18)            110.4918         estimate D2E/DX2                !
 ! A10   A(7,8,9)              113.4736         estimate D2E/DX2                !
 ! A11   A(7,8,12)             103.7861         estimate D2E/DX2                !
 ! A12   A(7,8,29)             108.4097         estimate D2E/DX2                !
 ! A13   A(9,8,12)             118.7733         estimate D2E/DX2                !
 ! A14   A(9,8,29)             106.2108         estimate D2E/DX2                !
 ! A15   A(12,8,29)            105.6263         estimate D2E/DX2                !
 ! A16   A(8,9,10)             109.0977         estimate D2E/DX2                !
 ! A17   A(8,9,17)             110.3421         estimate D2E/DX2                !
 ! A18   A(8,9,30)             109.3798         estimate D2E/DX2                !
 ! A19   A(10,9,17)            111.18           estimate D2E/DX2                !
 ! A20   A(10,9,30)            109.5837         estimate D2E/DX2                !
 ! A21   A(17,9,30)            107.2253         estimate D2E/DX2                !
 ! A22   A(1,10,9)             105.6571         estimate D2E/DX2                !
 ! A23   A(1,10,15)            104.4378         estimate D2E/DX2                !
 ! A24   A(1,10,16)            105.5483         estimate D2E/DX2                !
 ! A25   A(9,10,15)            112.0615         estimate D2E/DX2                !
 ! A26   A(9,10,16)            112.0254         estimate D2E/DX2                !
 ! A27   A(15,10,16)           116.0225         estimate D2E/DX2                !
 ! A28   A(2,11,7)             110.5384         estimate D2E/DX2                !
 ! A29   A(2,11,14)            111.8332         estimate D2E/DX2                !
 ! A30   A(2,11,21)            104.5237         estimate D2E/DX2                !
 ! A31   A(7,11,14)            103.6158         estimate D2E/DX2                !
 ! A32   A(7,11,21)            113.7145         estimate D2E/DX2                !
 ! A33   A(14,11,21)           112.8243         estimate D2E/DX2                !
 ! A34   A(8,12,14)            104.6015         estimate D2E/DX2                !
 ! A35   A(8,12,31)            110.9107         estimate D2E/DX2                !
 ! A36   A(8,12,32)            111.4428         estimate D2E/DX2                !
 ! A37   A(14,12,31)           110.0657         estimate D2E/DX2                !
 ! A38   A(14,12,32)           112.513          estimate D2E/DX2                !
 ! A39   A(31,12,32)           107.3528         estimate D2E/DX2                !
 ! A40   A(7,13,15)            113.2695         estimate D2E/DX2                !
 ! A41   A(7,13,33)            111.0979         estimate D2E/DX2                !
 ! A42   A(7,13,34)            110.6309         estimate D2E/DX2                !
 ! A43   A(15,13,33)           105.8944         estimate D2E/DX2                !
 ! A44   A(15,13,34)           108.1247         estimate D2E/DX2                !
 ! A45   A(33,13,34)           107.5448         estimate D2E/DX2                !
 ! A46   A(11,14,12)           105.6338         estimate D2E/DX2                !
 ! A47   A(11,14,22)           115.2282         estimate D2E/DX2                !
 ! A48   A(11,14,35)           110.7358         estimate D2E/DX2                !
 ! A49   A(12,14,22)           111.5589         estimate D2E/DX2                !
 ! A50   A(12,14,35)           106.4539         estimate D2E/DX2                !
 ! A51   A(22,14,35)           106.9405         estimate D2E/DX2                !
 ! A52   A(3,15,10)            111.6588         estimate D2E/DX2                !
 ! A53   A(3,15,13)            109.8019         estimate D2E/DX2                !
 ! A54   A(3,15,36)            107.2967         estimate D2E/DX2                !
 ! A55   A(10,15,13)           113.3824         estimate D2E/DX2                !
 ! A56   A(10,15,36)           108.8266         estimate D2E/DX2                !
 ! A57   A(13,15,36)           105.5092         estimate D2E/DX2                !
 ! A58   A(10,16,20)           107.4208         estimate D2E/DX2                !
 ! A59   A(10,16,23)           114.0748         estimate D2E/DX2                !
 ! A60   A(10,16,24)           110.1788         estimate D2E/DX2                !
 ! A61   A(20,16,23)           107.9491         estimate D2E/DX2                !
 ! A62   A(20,16,24)           111.1489         estimate D2E/DX2                !
 ! A63   A(23,16,24)           106.0945         estimate D2E/DX2                !
 ! A64   A(9,17,19)            112.2783         estimate D2E/DX2                !
 ! A65   A(9,17,37)            110.0223         estimate D2E/DX2                !
 ! A66   A(9,17,38)            109.8737         estimate D2E/DX2                !
 ! A67   A(19,17,37)           108.5581         estimate D2E/DX2                !
 ! A68   A(19,17,38)           109.301          estimate D2E/DX2                !
 ! A69   A(37,17,38)           106.6381         estimate D2E/DX2                !
 ! A70   A(7,18,39)            112.7241         estimate D2E/DX2                !
 ! A71   A(7,18,40)            111.0429         estimate D2E/DX2                !
 ! A72   A(7,18,41)            113.0927         estimate D2E/DX2                !
 ! A73   A(39,18,40)           106.8508         estimate D2E/DX2                !
 ! A74   A(39,18,41)           105.9502         estimate D2E/DX2                !
 ! A75   A(40,18,41)           106.7481         estimate D2E/DX2                !
 ! A76   A(17,19,20)           110.3639         estimate D2E/DX2                !
 ! A77   A(17,19,42)           110.135          estimate D2E/DX2                !
 ! A78   A(17,19,43)           108.8407         estimate D2E/DX2                !
 ! A79   A(20,19,42)           109.8173         estimate D2E/DX2                !
 ! A80   A(20,19,43)           111.4398         estimate D2E/DX2                !
 ! A81   A(42,19,43)           106.1575         estimate D2E/DX2                !
 ! A82   A(16,20,19)           115.9799         estimate D2E/DX2                !
 ! A83   A(16,20,25)           123.7765         estimate D2E/DX2                !
 ! A84   A(19,20,25)           120.2054         estimate D2E/DX2                !
 ! A85   A(4,21,11)            121.293          estimate D2E/DX2                !
 ! A86   A(4,21,26)            122.4198         estimate D2E/DX2                !
 ! A87   A(11,21,26)           116.2872         estimate D2E/DX2                !
 ! A88   A(14,22,44)           110.7365         estimate D2E/DX2                !
 ! A89   A(14,22,45)           110.5022         estimate D2E/DX2                !
 ! A90   A(14,22,46)           111.6233         estimate D2E/DX2                !
 ! A91   A(44,22,45)           107.8957         estimate D2E/DX2                !
 ! A92   A(44,22,46)           108.2792         estimate D2E/DX2                !
 ! A93   A(45,22,46)           107.666          estimate D2E/DX2                !
 ! A94   A(16,23,47)           112.685          estimate D2E/DX2                !
 ! A95   A(16,23,48)           112.7082         estimate D2E/DX2                !
 ! A96   A(16,23,49)           110.9787         estimate D2E/DX2                !
 ! A97   A(47,23,48)           107.4112         estimate D2E/DX2                !
 ! A98   A(47,23,49)           106.865          estimate D2E/DX2                !
 ! A99   A(48,23,49)           105.7721         estimate D2E/DX2                !
 ! A100  A(16,24,27)           125.3367         estimate D2E/DX2                !
 ! A101  A(16,24,51)           117.5345         estimate D2E/DX2                !
 ! A102  A(27,24,51)           117.1103         estimate D2E/DX2                !
 ! A103  A(20,25,28)           121.4289         estimate D2E/DX2                !
 ! A104  A(20,25,53)           121.7944         estimate D2E/DX2                !
 ! A105  A(28,25,53)           116.7704         estimate D2E/DX2                !
 ! A106  A(5,26,21)            110.6772         estimate D2E/DX2                !
 ! A107  A(5,26,54)            107.6545         estimate D2E/DX2                !
 ! A108  A(5,26,55)            106.7018         estimate D2E/DX2                !
 ! A109  A(21,26,54)           108.6079         estimate D2E/DX2                !
 ! A110  A(21,26,55)           114.2077         estimate D2E/DX2                !
 ! A111  A(54,26,55)           108.7848         estimate D2E/DX2                !
 ! A112  A(24,27,28)           120.4906         estimate D2E/DX2                !
 ! A113  A(24,27,56)           121.3625         estimate D2E/DX2                !
 ! A114  A(28,27,56)           118.1437         estimate D2E/DX2                !
 ! A115  A(6,28,25)            121.1088         estimate D2E/DX2                !
 ! A116  A(6,28,27)            121.1045         estimate D2E/DX2                !
 ! A117  A(25,28,27)           117.786          estimate D2E/DX2                !
 ! D1    D(50,2,11,7)           54.8733         estimate D2E/DX2                !
 ! D2    D(50,2,11,14)         169.7656         estimate D2E/DX2                !
 ! D3    D(50,2,11,21)         -67.8588         estimate D2E/DX2                !
 ! D4    D(52,3,15,10)        -104.7863         estimate D2E/DX2                !
 ! D5    D(52,3,15,13)         128.5701         estimate D2E/DX2                !
 ! D6    D(52,3,15,36)          14.3789         estimate D2E/DX2                !
 ! D7    D(57,5,26,21)          66.0625         estimate D2E/DX2                !
 ! D8    D(57,5,26,54)        -175.3805         estimate D2E/DX2                !
 ! D9    D(57,5,26,55)         -58.7452         estimate D2E/DX2                !
 ! D10   D(11,7,8,9)           177.7154         estimate D2E/DX2                !
 ! D11   D(11,7,8,12)           47.4076         estimate D2E/DX2                !
 ! D12   D(11,7,8,29)          -64.5537         estimate D2E/DX2                !
 ! D13   D(13,7,8,9)           -61.1509         estimate D2E/DX2                !
 ! D14   D(13,7,8,12)          168.5413         estimate D2E/DX2                !
 ! D15   D(13,7,8,29)           56.5799         estimate D2E/DX2                !
 ! D16   D(18,7,8,9)            61.1313         estimate D2E/DX2                !
 ! D17   D(18,7,8,12)          -69.1765         estimate D2E/DX2                !
 ! D18   D(18,7,8,29)          178.8621         estimate D2E/DX2                !
 ! D19   D(8,7,11,2)            77.3875         estimate D2E/DX2                !
 ! D20   D(8,7,11,14)          -42.5716         estimate D2E/DX2                !
 ! D21   D(8,7,11,21)         -165.4141         estimate D2E/DX2                !
 ! D22   D(13,7,11,2)          -37.2215         estimate D2E/DX2                !
 ! D23   D(13,7,11,14)        -157.1805         estimate D2E/DX2                !
 ! D24   D(13,7,11,21)          79.9769         estimate D2E/DX2                !
 ! D25   D(18,7,11,2)         -163.5375         estimate D2E/DX2                !
 ! D26   D(18,7,11,14)          76.5035         estimate D2E/DX2                !
 ! D27   D(18,7,11,21)         -46.3391         estimate D2E/DX2                !
 ! D28   D(8,7,13,15)           55.1329         estimate D2E/DX2                !
 ! D29   D(8,7,13,33)          -63.9094         estimate D2E/DX2                !
 ! D30   D(8,7,13,34)          176.7165         estimate D2E/DX2                !
 ! D31   D(11,7,13,15)         165.0581         estimate D2E/DX2                !
 ! D32   D(11,7,13,33)          46.0158         estimate D2E/DX2                !
 ! D33   D(11,7,13,34)         -73.3584         estimate D2E/DX2                !
 ! D34   D(18,7,13,15)         -68.8793         estimate D2E/DX2                !
 ! D35   D(18,7,13,33)         172.0785         estimate D2E/DX2                !
 ! D36   D(18,7,13,34)          52.7043         estimate D2E/DX2                !
 ! D37   D(8,7,18,39)           68.1731         estimate D2E/DX2                !
 ! D38   D(8,7,18,40)         -171.9687         estimate D2E/DX2                !
 ! D39   D(8,7,18,41)          -51.9892         estimate D2E/DX2                !
 ! D40   D(11,7,18,39)         -41.9172         estimate D2E/DX2                !
 ! D41   D(11,7,18,40)          77.9411         estimate D2E/DX2                !
 ! D42   D(11,7,18,41)        -162.0795         estimate D2E/DX2                !
 ! D43   D(13,7,18,39)        -171.2996         estimate D2E/DX2                !
 ! D44   D(13,7,18,40)         -51.4414         estimate D2E/DX2                !
 ! D45   D(13,7,18,41)          68.538          estimate D2E/DX2                !
 ! D46   D(7,8,9,10)            59.9485         estimate D2E/DX2                !
 ! D47   D(7,8,9,17)          -177.6302         estimate D2E/DX2                !
 ! D48   D(7,8,9,30)           -59.9063         estimate D2E/DX2                !
 ! D49   D(12,8,9,10)         -177.7165         estimate D2E/DX2                !
 ! D50   D(12,8,9,17)          -55.2952         estimate D2E/DX2                !
 ! D51   D(12,8,9,30)           62.4287         estimate D2E/DX2                !
 ! D52   D(29,8,9,10)          -59.0517         estimate D2E/DX2                !
 ! D53   D(29,8,9,17)           63.3696         estimate D2E/DX2                !
 ! D54   D(29,8,9,30)         -178.9065         estimate D2E/DX2                !
 ! D55   D(7,8,12,14)          -33.8683         estimate D2E/DX2                !
 ! D56   D(7,8,12,31)           84.757          estimate D2E/DX2                !
 ! D57   D(7,8,12,32)         -155.6991         estimate D2E/DX2                !
 ! D58   D(9,8,12,14)         -160.9288         estimate D2E/DX2                !
 ! D59   D(9,8,12,31)          -42.3034         estimate D2E/DX2                !
 ! D60   D(9,8,12,32)           77.2404         estimate D2E/DX2                !
 ! D61   D(29,8,12,14)          80.1035         estimate D2E/DX2                !
 ! D62   D(29,8,12,31)        -161.2712         estimate D2E/DX2                !
 ! D63   D(29,8,12,32)         -41.7273         estimate D2E/DX2                !
 ! D64   D(8,9,10,1)            61.6988         estimate D2E/DX2                !
 ! D65   D(8,9,10,15)          -51.4414         estimate D2E/DX2                !
 ! D66   D(8,9,10,16)          176.1351         estimate D2E/DX2                !
 ! D67   D(17,9,10,1)          -60.2175         estimate D2E/DX2                !
 ! D68   D(17,9,10,15)        -173.3577         estimate D2E/DX2                !
 ! D69   D(17,9,10,16)          54.2188         estimate D2E/DX2                !
 ! D70   D(30,9,10,1)         -178.5724         estimate D2E/DX2                !
 ! D71   D(30,9,10,15)          68.2874         estimate D2E/DX2                !
 ! D72   D(30,9,10,16)         -64.1361         estimate D2E/DX2                !
 ! D73   D(8,9,17,19)         -175.2522         estimate D2E/DX2                !
 ! D74   D(8,9,17,37)           63.7263         estimate D2E/DX2                !
 ! D75   D(8,9,17,38)          -53.3881         estimate D2E/DX2                !
 ! D76   D(10,9,17,19)         -54.0623         estimate D2E/DX2                !
 ! D77   D(10,9,17,37)        -175.0838         estimate D2E/DX2                !
 ! D78   D(10,9,17,38)          67.8018         estimate D2E/DX2                !
 ! D79   D(30,9,17,19)          65.7048         estimate D2E/DX2                !
 ! D80   D(30,9,17,37)         -55.3167         estimate D2E/DX2                !
 ! D81   D(30,9,17,38)        -172.4311         estimate D2E/DX2                !
 ! D82   D(1,10,15,3)          169.7259         estimate D2E/DX2                !
 ! D83   D(1,10,15,13)         -65.6061         estimate D2E/DX2                !
 ! D84   D(1,10,15,36)          51.4717         estimate D2E/DX2                !
 ! D85   D(9,10,15,3)          -76.3806         estimate D2E/DX2                !
 ! D86   D(9,10,15,13)          48.2874         estimate D2E/DX2                !
 ! D87   D(9,10,15,36)         165.3652         estimate D2E/DX2                !
 ! D88   D(16,10,15,3)          54.0223         estimate D2E/DX2                !
 ! D89   D(16,10,15,13)        178.6903         estimate D2E/DX2                !
 ! D90   D(16,10,15,36)        -64.2319         estimate D2E/DX2                !
 ! D91   D(1,10,16,20)          61.6291         estimate D2E/DX2                !
 ! D92   D(1,10,16,23)        -178.7701         estimate D2E/DX2                !
 ! D93   D(1,10,16,24)         -59.5812         estimate D2E/DX2                !
 ! D94   D(9,10,16,20)         -52.8739         estimate D2E/DX2                !
 ! D95   D(9,10,16,23)          66.7269         estimate D2E/DX2                !
 ! D96   D(9,10,16,24)        -174.0843         estimate D2E/DX2                !
 ! D97   D(15,10,16,20)        176.706          estimate D2E/DX2                !
 ! D98   D(15,10,16,23)        -63.6932         estimate D2E/DX2                !
 ! D99   D(15,10,16,24)         55.4957         estimate D2E/DX2                !
 ! D100  D(2,11,14,12)         -96.2748         estimate D2E/DX2                !
 ! D101  D(2,11,14,22)          27.3436         estimate D2E/DX2                !
 ! D102  D(2,11,14,35)         148.8629         estimate D2E/DX2                !
 ! D103  D(7,11,14,12)          22.7977         estimate D2E/DX2                !
 ! D104  D(7,11,14,22)         146.4161         estimate D2E/DX2                !
 ! D105  D(7,11,14,35)         -92.0646         estimate D2E/DX2                !
 ! D106  D(21,11,14,12)        146.2267         estimate D2E/DX2                !
 ! D107  D(21,11,14,22)        -90.1549         estimate D2E/DX2                !
 ! D108  D(21,11,14,35)         31.3644         estimate D2E/DX2                !
 ! D109  D(2,11,21,4)         -121.755          estimate D2E/DX2                !
 ! D110  D(2,11,21,26)          58.2734         estimate D2E/DX2                !
 ! D111  D(7,11,21,4)          117.6053         estimate D2E/DX2                !
 ! D112  D(7,11,21,26)         -62.3663         estimate D2E/DX2                !
 ! D113  D(14,11,21,4)          -0.0296         estimate D2E/DX2                !
 ! D114  D(14,11,21,26)        179.9988         estimate D2E/DX2                !
 ! D115  D(8,12,14,11)           6.5181         estimate D2E/DX2                !
 ! D116  D(8,12,14,22)        -119.3878         estimate D2E/DX2                !
 ! D117  D(8,12,14,35)         124.2936         estimate D2E/DX2                !
 ! D118  D(31,12,14,11)       -112.6789         estimate D2E/DX2                !
 ! D119  D(31,12,14,22)        121.4151         estimate D2E/DX2                !
 ! D120  D(31,12,14,35)          5.0965         estimate D2E/DX2                !
 ! D121  D(32,12,14,11)        127.6435         estimate D2E/DX2                !
 ! D122  D(32,12,14,22)          1.7376         estimate D2E/DX2                !
 ! D123  D(32,12,14,35)       -114.581          estimate D2E/DX2                !
 ! D124  D(7,13,15,3)           74.6067         estimate D2E/DX2                !
 ! D125  D(7,13,15,10)         -51.0589         estimate D2E/DX2                !
 ! D126  D(7,13,15,36)        -170.0613         estimate D2E/DX2                !
 ! D127  D(33,13,15,3)        -163.3969         estimate D2E/DX2                !
 ! D128  D(33,13,15,10)         70.9375         estimate D2E/DX2                !
 ! D129  D(33,13,15,36)        -48.0649         estimate D2E/DX2                !
 ! D130  D(34,13,15,3)         -48.3724         estimate D2E/DX2                !
 ! D131  D(34,13,15,10)       -174.038          estimate D2E/DX2                !
 ! D132  D(34,13,15,36)         66.9596         estimate D2E/DX2                !
 ! D133  D(11,14,22,44)         58.1977         estimate D2E/DX2                !
 ! D134  D(11,14,22,45)        177.6934         estimate D2E/DX2                !
 ! D135  D(11,14,22,46)        -62.5219         estimate D2E/DX2                !
 ! D136  D(12,14,22,44)        178.6266         estimate D2E/DX2                !
 ! D137  D(12,14,22,45)        -61.8777         estimate D2E/DX2                !
 ! D138  D(12,14,22,46)         57.9069         estimate D2E/DX2                !
 ! D139  D(35,14,22,44)        -65.3519         estimate D2E/DX2                !
 ! D140  D(35,14,22,45)         54.1438         estimate D2E/DX2                !
 ! D141  D(35,14,22,46)        173.9284         estimate D2E/DX2                !
 ! D142  D(10,16,20,19)         55.5811         estimate D2E/DX2                !
 ! D143  D(10,16,20,25)       -122.167          estimate D2E/DX2                !
 ! D144  D(23,16,20,19)        -67.8585         estimate D2E/DX2                !
 ! D145  D(23,16,20,25)        114.3934         estimate D2E/DX2                !
 ! D146  D(24,16,20,19)        176.1802         estimate D2E/DX2                !
 ! D147  D(24,16,20,25)         -1.5679         estimate D2E/DX2                !
 ! D148  D(10,16,23,47)        -45.0305         estimate D2E/DX2                !
 ! D149  D(10,16,23,48)         76.7384         estimate D2E/DX2                !
 ! D150  D(10,16,23,49)       -164.8351         estimate D2E/DX2                !
 ! D151  D(20,16,23,47)         74.272          estimate D2E/DX2                !
 ! D152  D(20,16,23,48)       -163.9591         estimate D2E/DX2                !
 ! D153  D(20,16,23,49)        -45.5326         estimate D2E/DX2                !
 ! D154  D(24,16,23,47)       -166.5064         estimate D2E/DX2                !
 ! D155  D(24,16,23,48)        -44.7376         estimate D2E/DX2                !
 ! D156  D(24,16,23,49)         73.689          estimate D2E/DX2                !
 ! D157  D(10,16,24,27)        120.4981         estimate D2E/DX2                !
 ! D158  D(10,16,24,51)        -61.1167         estimate D2E/DX2                !
 ! D159  D(20,16,24,27)          1.54           estimate D2E/DX2                !
 ! D160  D(20,16,24,51)        179.9252         estimate D2E/DX2                !
 ! D161  D(23,16,24,27)       -115.5586         estimate D2E/DX2                !
 ! D162  D(23,16,24,51)         62.8266         estimate D2E/DX2                !
 ! D163  D(9,17,19,20)          53.9222         estimate D2E/DX2                !
 ! D164  D(9,17,19,42)         -67.4941         estimate D2E/DX2                !
 ! D165  D(9,17,19,43)         176.5118         estimate D2E/DX2                !
 ! D166  D(37,17,19,20)        175.782          estimate D2E/DX2                !
 ! D167  D(37,17,19,42)         54.3657         estimate D2E/DX2                !
 ! D168  D(37,17,19,43)        -61.6284         estimate D2E/DX2                !
 ! D169  D(38,17,19,20)        -68.2677         estimate D2E/DX2                !
 ! D170  D(38,17,19,42)        170.316          estimate D2E/DX2                !
 ! D171  D(38,17,19,43)         54.3219         estimate D2E/DX2                !
 ! D172  D(17,19,20,16)        -56.8158         estimate D2E/DX2                !
 ! D173  D(17,19,20,25)        121.0184         estimate D2E/DX2                !
 ! D174  D(42,19,20,16)         64.7888         estimate D2E/DX2                !
 ! D175  D(42,19,20,25)       -117.377          estimate D2E/DX2                !
 ! D176  D(43,19,20,16)       -177.8692         estimate D2E/DX2                !
 ! D177  D(43,19,20,25)         -0.035          estimate D2E/DX2                !
 ! D178  D(16,20,25,28)          0.2578         estimate D2E/DX2                !
 ! D179  D(16,20,25,53)        179.3171         estimate D2E/DX2                !
 ! D180  D(19,20,25,28)       -177.3997         estimate D2E/DX2                !
 ! D181  D(19,20,25,53)          1.6595         estimate D2E/DX2                !
 ! D182  D(4,21,26,5)           30.586          estimate D2E/DX2                !
 ! D183  D(4,21,26,54)         -87.3904         estimate D2E/DX2                !
 ! D184  D(4,21,26,55)         151.015          estimate D2E/DX2                !
 ! D185  D(11,21,26,5)        -149.4427         estimate D2E/DX2                !
 ! D186  D(11,21,26,54)         92.5809         estimate D2E/DX2                !
 ! D187  D(11,21,26,55)        -29.0137         estimate D2E/DX2                !
 ! D188  D(16,24,27,28)         -0.1759         estimate D2E/DX2                !
 ! D189  D(16,24,27,56)        179.1602         estimate D2E/DX2                !
 ! D190  D(51,24,27,28)       -178.5672         estimate D2E/DX2                !
 ! D191  D(51,24,27,56)          0.7689         estimate D2E/DX2                !
 ! D192  D(20,25,28,6)        -179.0486         estimate D2E/DX2                !
 ! D193  D(20,25,28,27)          1.2596         estimate D2E/DX2                !
 ! D194  D(53,25,28,6)           1.847          estimate D2E/DX2                !
 ! D195  D(53,25,28,27)       -177.8448         estimate D2E/DX2                !
 ! D196  D(24,27,28,6)         179.0067         estimate D2E/DX2                !
 ! D197  D(24,27,28,25)         -1.3015         estimate D2E/DX2                !
 ! D198  D(56,27,28,6)          -0.3504         estimate D2E/DX2                !
 ! D199  D(56,27,28,25)        179.3415         estimate D2E/DX2                !
 --------------------------------------------------------------------------------
 Trust Radius=3.00D-01 FncErr=1.00D-07 GrdErr=1.00D-07
 Number of steps in this run= 342 maximum allowed number of steps= 342.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C22H29FO5
 Framework group  C1[X(C22H29FO5)]
 Deg. of freedom   165
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          9           0        1.428081   -0.065563   -1.297740
      2          8           0       -2.884455    0.263666   -1.791635
      3          8           0        0.412591   -2.135900    1.459405
      4          8           0       -5.166119    0.090029    0.559273
      5          8           0       -5.514724   -2.328098   -0.718076
      6          8           0        6.286440   -0.091916   -1.731855
      7          6           0       -1.692552   -0.139136    0.311864
      8          6           0       -0.778818    1.080286    0.060223
      9          6           0        0.620912    0.934042    0.677341
     10          6           0        1.324514   -0.323431    0.060472
     11          6           0       -2.991827    0.374316   -0.376497
     12          6           0       -1.642374    2.273134    0.469566
     13          6           0       -1.018084   -1.362700   -0.342099
     14          6           0       -3.087820    1.860655    0.083141
     15          6           0        0.429738   -1.596117    0.147154
     16          6           0        2.809381   -0.483736    0.575502
     17          6           0        1.448795    2.209730    0.434927
     18          6           0       -1.959958   -0.406305    1.819275
     19          6           0        2.884155    2.069333    0.927644
     20          6           0        3.528385    0.847241    0.324994
     21          6           0       -4.214955   -0.422946   -0.028321
     22          6           0       -3.690325    2.819977   -0.939212
     23          6           0        2.922452   -0.810084    2.082483
     24          6           0        3.498589   -1.626551   -0.156618
     25          6           0        4.639753    0.966723   -0.418189
     26          6           0       -4.205124   -1.879825   -0.439569
     27          6           0        4.604442   -1.513859   -0.898719
     28          6           0        5.261285   -0.205052   -1.068306
     29          1           0       -0.626724    1.182931   -1.026772
     30          1           0        0.528878    0.808378    1.760670
     31          1           0       -1.577847    2.450648    1.549617
     32          1           0       -1.320085    3.191663   -0.032250
     33          1           0       -0.951813   -1.242485   -1.428370
     34          1           0       -1.594373   -2.271375   -0.145459
     35          1           0       -3.690481    1.946852    0.996611
     36          1           0        0.843284   -2.365559   -0.516699
     37          1           0        0.985551    3.060947    0.947649
     38          1           0        1.454780    2.453026   -0.635979
     39          1           0       -2.571627    0.372870    2.284754
     40          1           0       -2.489790   -1.353802    1.962709
     41          1           0       -1.045503   -0.464292    2.412633
     42          1           0        2.902394    1.997954    2.021268
     43          1           0        3.437199    2.981370    0.672034
     44          1           0       -4.699670    2.503123   -1.220157
     45          1           0       -3.758494    3.830809   -0.523090
     46          1           0       -3.082204    2.875109   -1.848122
     47          1           0        2.265845   -0.189273    2.699012
     48          1           0        2.690070   -1.855948    2.306956
     49          1           0        3.946681   -0.647551    2.444253
     50          1           0       -2.666609   -0.636516   -2.068115
     51          1           0        3.073103   -2.621851   -0.049042
     52          1           0        0.971650   -2.931329    1.458465
     53          1           0        5.116356    1.927137   -0.583380
     54          1           0       -3.821328   -2.474501    0.392867
     55          1           0       -3.608218   -2.089480   -1.324258
     56          1           0        5.049513   -2.375673   -1.382240
     57          1           0       -5.826524   -1.849535   -1.505127
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.4101466      0.1046816      0.0963316
 Standard basis: VSTO-6G (5D, 7F)
 There are   141 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   141 basis functions,   846 primitive gaussians,   141 cartesian basis functions
    77 alpha electrons       77 beta electrons
       nuclear repulsion energy      1662.4550516036 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   141 RedAO= F  NBF=   141
 NBsUse=   141 1.00D-04 NBFU=   141
 Simple Huckel Guess.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 The electronic state of the initial guess is 1-A.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=982442.
 SCF Done:  E(RPM6) = -0.387106551880     A.U. after   16 cycles
             Convg  =    0.4278D-08             -V/T =  0.9988

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --   -1.52152  -1.18770  -1.16553  -1.14905  -1.14731
 Alpha  occ. eigenvalues --   -1.13236  -1.12314  -1.10409  -1.06438  -1.04962
 Alpha  occ. eigenvalues --   -1.01449  -0.99794  -0.98121  -0.96519  -0.93966
 Alpha  occ. eigenvalues --   -0.91557  -0.90573  -0.88403  -0.85546  -0.82545
 Alpha  occ. eigenvalues --   -0.81020  -0.79154  -0.76938  -0.76098  -0.73034
 Alpha  occ. eigenvalues --   -0.72221  -0.71397  -0.69198  -0.67647  -0.66414
 Alpha  occ. eigenvalues --   -0.65358  -0.64343  -0.62679  -0.62176  -0.61630
 Alpha  occ. eigenvalues --   -0.60501  -0.60287  -0.59424  -0.58880  -0.58560
 Alpha  occ. eigenvalues --   -0.57221  -0.56424  -0.55682  -0.55313  -0.54314
 Alpha  occ. eigenvalues --   -0.54027  -0.53760  -0.53450  -0.52110  -0.52063
 Alpha  occ. eigenvalues --   -0.51877  -0.51797  -0.51032  -0.50680  -0.50414
 Alpha  occ. eigenvalues --   -0.50004  -0.49515  -0.48602  -0.48405  -0.48120
 Alpha  occ. eigenvalues --   -0.48014  -0.47442  -0.46150  -0.45803  -0.45118
 Alpha  occ. eigenvalues --   -0.44843  -0.44057  -0.43163  -0.43041  -0.42587
 Alpha  occ. eigenvalues --   -0.42086  -0.41396  -0.40551  -0.40194  -0.38437
 Alpha  occ. eigenvalues --   -0.36895  -0.36485
 Alpha virt. eigenvalues --   -0.02802  -0.00942   0.01170   0.05799   0.06528
 Alpha virt. eigenvalues --    0.06640   0.07596   0.07875   0.08094   0.08372
 Alpha virt. eigenvalues --    0.08950   0.09362   0.09843   0.10422   0.10703
 Alpha virt. eigenvalues --    0.11144   0.11247   0.11602   0.11760   0.12410
 Alpha virt. eigenvalues --    0.12524   0.12750   0.13017   0.13548   0.13945
 Alpha virt. eigenvalues --    0.14088   0.14492   0.14705   0.15315   0.15393
 Alpha virt. eigenvalues --    0.15632   0.15858   0.16001   0.16223   0.16394
 Alpha virt. eigenvalues --    0.17044   0.17511   0.17721   0.17883   0.18498
 Alpha virt. eigenvalues --    0.18625   0.18734   0.18904   0.18949   0.19568
 Alpha virt. eigenvalues --    0.19608   0.19840   0.20004   0.20147   0.20327
 Alpha virt. eigenvalues --    0.20424   0.20951   0.21157   0.21186   0.21375
 Alpha virt. eigenvalues --    0.21559   0.21902   0.22060   0.22298   0.22428
 Alpha virt. eigenvalues --    0.22497   0.22767   0.24260   0.25176
          Condensed to atoms (all electrons):
 Mulliken atomic charges:
              1
     1  F   -0.211501
     2  O   -0.537665
     3  O   -0.535352
     4  O   -0.415914
     5  O   -0.482959
     6  O   -0.491924
     7  C    0.096708
     8  C   -0.129339
     9  C   -0.132663
    10  C    0.175383
    11  C    0.114072
    12  C   -0.316481
    13  C   -0.365886
    14  C   -0.025936
    15  C    0.131806
    16  C    0.021372
    17  C   -0.262031
    18  C   -0.503807
    19  C   -0.321154
    20  C    0.166895
    21  C    0.404610
    22  C   -0.477385
    23  C   -0.472318
    24  C   -0.083816
    25  C   -0.428397
    26  C   -0.149356
    27  C   -0.327737
    28  C    0.573830
    29  H    0.156750
    30  H    0.148298
    31  H    0.140302
    32  H    0.148510
    33  H    0.155431
    34  H    0.154132
    35  H    0.144770
    36  H    0.108168
    37  H    0.141930
    38  H    0.154569
    39  H    0.161237
    40  H    0.154813
    41  H    0.177598
    42  H    0.156440
    43  H    0.157941
    44  H    0.163766
    45  H    0.150430
    46  H    0.165507
    47  H    0.168310
    48  H    0.158528
    49  H    0.164970
    50  H    0.308475
    51  H    0.134718
    52  H    0.308720
    53  H    0.195794
    54  H    0.181228
    55  H    0.128962
    56  H    0.186023
    57  H    0.310628
 Sum of Mulliken atomic charges =   0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
              1
     1  F   -0.211501
     2  O   -0.229190
     3  O   -0.226632
     4  O   -0.415914
     5  O   -0.172331
     6  O   -0.491924
     7  C    0.096708
     8  C    0.027410
     9  C    0.015634
    10  C    0.175383
    11  C    0.114072
    12  C   -0.027669
    13  C   -0.056323
    14  C    0.118834
    15  C    0.239974
    16  C    0.021372
    17  C    0.034468
    18  C   -0.010160
    19  C   -0.006773
    20  C    0.166895
    21  C    0.404610
    22  C    0.002317
    23  C    0.019489
    24  C    0.050902
    25  C   -0.232603
    26  C    0.160834
    27  C   -0.141714
    28  C    0.573830
 Sum of Mulliken charges with hydrogens summed into heavy atoms =   0.00000
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.0877    Y=             -1.2624    Z=              2.6280  Tot=              2.9168
 N-N= 1.662455051604D+03 E-N=-2.891931410124D+03  KE=-3.295333750792D+02
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        9           0.003824330    0.005830658   -0.005022746
      2        8          -0.001350512   -0.017846335    0.010385214
      3        8          -0.003091344   -0.002885292   -0.008196711
      4        8           0.025457909    0.017801629    0.016495538
      5        8          -0.006863968    0.008675002   -0.004900901
      6        8          -0.011694598    0.001865163   -0.007648529
      7        6           0.012956750    0.010414481   -0.017317620
      8        6           0.009670091   -0.002691718   -0.003969255
      9        6           0.002980155    0.000001715    0.004293145
     10        6          -0.000154288   -0.012818293   -0.004936048
     11        6           0.009496435   -0.001425611   -0.003497950
     12        6           0.002405883   -0.001129690   -0.003413451
     13        6           0.001259928   -0.004174819   -0.012067114
     14        6           0.006745308   -0.013021157    0.013090243
     15        6          -0.001371587   -0.006713599    0.013221113
     16        6           0.002318626    0.002742042    0.001076165
     17        6          -0.002360041    0.004163147    0.001263840
     18        6          -0.004481826    0.000093698    0.012428205
     19        6           0.001194781    0.009653286    0.001492948
     20        6          -0.003541201   -0.003729774    0.000703590
     21        6          -0.049557710   -0.016609122   -0.030348409
     22        6           0.001667926    0.003627494   -0.000268251
     23        6          -0.000117268   -0.001531414    0.004294614
     24        6          -0.002524584    0.002379981    0.001477482
     25        6          -0.006606350    0.008436680   -0.004450546
     26        6          -0.000142683   -0.001224417    0.002370668
     27        6          -0.009280989   -0.001145825   -0.007737928
     28        6           0.025043357   -0.010720354    0.015623402
     29        1          -0.000216530    0.000171456    0.013948296
     30        1          -0.000780483    0.006224671   -0.011169034
     31        1           0.000489018   -0.003189636   -0.003619644
     32        1           0.000331035   -0.003322814    0.001092487
     33        1          -0.003786575   -0.001945325    0.008553667
     34        1          -0.002628256    0.005398830   -0.002094083
     35        1          -0.010000200    0.006224221   -0.007994506
     36        1           0.007636333    0.008568528    0.007484222
     37        1          -0.004552432   -0.004520696   -0.001507991
     38        1          -0.000690239   -0.002995503    0.006018790
     39        1          -0.000260562   -0.001140649    0.001001164
     40        1           0.001152075    0.000611530   -0.000410161
     41        1           0.004641311    0.001836706    0.002344805
     42        1           0.001403174   -0.000001517   -0.007603635
     43        1           0.004958583   -0.005366236    0.000676329
     44        1          -0.000941267    0.000270446    0.001560687
     45        1          -0.000828521   -0.000627368    0.000546175
     46        1          -0.000552811    0.001394781    0.001954087
     47        1          -0.002160917   -0.000306895    0.001005531
     48        1          -0.002802697    0.000021534    0.000815693
     49        1           0.000765638   -0.000726046    0.000996622
     50        1           0.003257135    0.005254177    0.001821556
     51        1          -0.006427973   -0.000263011   -0.003745747
     52        1           0.001877244    0.004286894   -0.006272560
     53        1           0.003524614   -0.000626761    0.002041733
     54        1          -0.001609331    0.008644812   -0.007566184
     55        1           0.010564645   -0.000109282    0.007605522
     56        1           0.004518066    0.000240172    0.003255799
     57        1          -0.008762607   -0.002024576    0.004819675
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.049557710 RMS     0.008051685

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Internal  Forces:  Max     0.035901179 RMS     0.004651691
 Search for a local minimum.
 Step number   1 out of a maximum of  342
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Second derivative matrix not updated -- first step.
     Eigenvalues ---    0.00230   0.00230   0.00297   0.00417   0.00423
     Eigenvalues ---    0.00467   0.00537   0.00556   0.00583   0.00667
     Eigenvalues ---    0.00703   0.00753   0.01088   0.01256   0.01285
     Eigenvalues ---    0.01381   0.01440   0.01444   0.01534   0.01586
     Eigenvalues ---    0.01685   0.01729   0.02068   0.02193   0.02242
     Eigenvalues ---    0.02383   0.02925   0.03142   0.03564   0.03759
     Eigenvalues ---    0.04005   0.04014   0.04255   0.04271   0.04526
     Eigenvalues ---    0.04630   0.04717   0.04778   0.04911   0.05055
     Eigenvalues ---    0.05090   0.05107   0.05136   0.05282   0.05294
     Eigenvalues ---    0.05356   0.05362   0.05505   0.05531   0.05633
     Eigenvalues ---    0.05718   0.05869   0.06139   0.06159   0.06451
     Eigenvalues ---    0.06592   0.06748   0.07009   0.07092   0.07134
     Eigenvalues ---    0.07472   0.07606   0.07989   0.08178   0.08266
     Eigenvalues ---    0.08348   0.08362   0.09052   0.09285   0.10453
     Eigenvalues ---    0.11050   0.11743   0.11795   0.12872   0.13321
     Eigenvalues ---    0.14029   0.14557   0.14967   0.15749   0.15990
     Eigenvalues ---    0.15998   0.15999   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16081
     Eigenvalues ---    0.16325   0.18152   0.18535   0.19153   0.20739
     Eigenvalues ---    0.21438   0.22074   0.22674   0.23506   0.24406
     Eigenvalues ---    0.24718   0.25000   0.25000   0.25000   0.25222
     Eigenvalues ---    0.26561   0.26661   0.26758   0.27307   0.27418
     Eigenvalues ---    0.27641   0.27989   0.28450   0.28539   0.28610
     Eigenvalues ---    0.29114   0.29524   0.29801   0.30544   0.30967
     Eigenvalues ---    0.32276   0.33421   0.33856   0.33867   0.33881
     Eigenvalues ---    0.33932   0.33998   0.34037   0.34079   0.34086
     Eigenvalues ---    0.34117   0.34212   0.34223   0.34240   0.34244
     Eigenvalues ---    0.34251   0.34283   0.34289   0.34298   0.34301
     Eigenvalues ---    0.34364   0.34374   0.34508   0.34624   0.34678
     Eigenvalues ---    0.35072   0.35089   0.35418   0.35540   0.41936
     Eigenvalues ---    0.42606   0.43698   0.47960   0.52876   0.52921
     Eigenvalues ---    0.53467   0.54087   0.57438   0.91049   0.92606
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.00000
 RFO step:  Lambda=-3.09403554D-02 EMin= 2.30000000D-03
 Linear search not attempted -- first point.
 Maximum step size (   0.300) exceeded in Quadratic search.
    -- Step size scaled by   0.662
 Iteration  1 RMS(Cart)=  0.06234071 RMS(Int)=  0.00109932
 Iteration  2 RMS(Cart)=  0.00203884 RMS(Int)=  0.00010965
 Iteration  3 RMS(Cart)=  0.00000237 RMS(Int)=  0.00010963
 Iteration  4 RMS(Cart)=  0.00000000 RMS(Int)=  0.00010963
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.61982  -0.00561   0.00000  -0.00727  -0.00727   2.61254
    R2        2.69005   0.01114   0.00000   0.01638   0.01638   2.70643
    R3        1.82652   0.00616   0.00000   0.00713   0.00713   1.83365
    R4        2.68159   0.01399   0.00000   0.02027   0.02027   2.70186
    R5        1.83727   0.00469   0.00000   0.00554   0.00554   1.84281
    R6        2.32453  -0.03498   0.00000  -0.02460  -0.02460   2.29993
    R7        2.66817   0.01657   0.00000   0.02345   0.02345   2.69162
    R8        1.83770   0.00766   0.00000   0.00906   0.00906   1.84676
    R9        2.31755  -0.01408   0.00000  -0.00974  -0.00974   2.30781
   R10        2.91852   0.00940   0.00000   0.02189   0.02197   2.94050
   R11        2.94312   0.01493   0.00000   0.03454   0.03454   2.97766
   R12        2.91513  -0.00301   0.00000  -0.00647  -0.00650   2.90863
   R13        2.93679  -0.01487   0.00000  -0.03238  -0.03238   2.90441
   R14        2.90395   0.00155   0.00000   0.00206   0.00202   2.90597
   R15        2.88836   0.00878   0.00000   0.01803   0.01812   2.90648
   R16        2.08318   0.01370   0.00000   0.02484   0.02484   2.10802
   R17        2.96201  -0.00495   0.00000  -0.01239  -0.01232   2.94968
   R18        2.91014   0.00141   0.00000   0.00410   0.00411   2.91425
   R19        2.06825   0.01177   0.00000   0.02084   0.02084   2.08909
   R20        2.94450   0.00060   0.00000   0.00144   0.00149   2.94599
   R21        2.98540  -0.01074   0.00000  -0.02713  -0.02712   2.95828
   R22        2.94560   0.00130   0.00000   0.00136   0.00122   2.94682
   R23        2.83641   0.03590   0.00000   0.06720   0.06720   2.90362
   R24        2.93290   0.00894   0.00000   0.01691   0.01683   2.94973
   R25        2.07198   0.00414   0.00000   0.00737   0.00737   2.07935
   R26        2.06956   0.00338   0.00000   0.00599   0.00599   2.07555
   R27        2.92147   0.00148   0.00000   0.00425   0.00429   2.92576
   R28        2.06908   0.00840   0.00000   0.01490   0.01490   2.08398
   R29        2.06704   0.00625   0.00000   0.01105   0.01105   2.07809
   R30        2.88362  -0.00004   0.00000  -0.00008  -0.00008   2.88354
   R31        2.07445   0.01165   0.00000   0.02083   0.02083   2.09528
   R32        2.07333   0.01344   0.00000   0.02400   0.02400   2.09733
   R33        2.89765  -0.00164   0.00000  -0.00680  -0.00679   2.89086
   R34        2.92162  -0.00773   0.00000  -0.01646  -0.01646   2.90516
   R35        2.87650  -0.00485   0.00000  -0.01131  -0.01131   2.86520
   R36        2.88005   0.00870   0.00000   0.01918   0.01918   2.89922
   R37        2.07186   0.00618   0.00000   0.01100   0.01100   2.08286
   R38        2.07532   0.00650   0.00000   0.01164   0.01164   2.08696
   R39        2.06830   0.00055   0.00000   0.00098   0.00098   2.06928
   R40        2.06927   0.00003   0.00000   0.00005   0.00005   2.06932
   R41        2.06289   0.00263   0.00000   0.00462   0.00462   2.06751
   R42        2.84824  -0.00151   0.00000  -0.00183  -0.00187   2.84637
   R43        2.07133   0.00760   0.00000   0.01352   0.01352   2.08485
   R44        2.07268   0.00712   0.00000   0.01269   0.01269   2.08537
   R45        2.53656   0.00159   0.00000   0.00144   0.00145   2.53801
   R46        2.86075   0.01399   0.00000   0.02720   0.02720   2.88794
   R47        2.06846   0.00136   0.00000   0.00240   0.00240   2.07086
   R48        2.06973   0.00044   0.00000   0.00078   0.00078   2.07052
   R49        2.06920   0.00124   0.00000   0.00219   0.00219   2.07140
   R50        2.06720   0.00094   0.00000   0.00166   0.00166   2.06886
   R51        2.06856   0.00044   0.00000   0.00077   0.00077   2.06933
   R52        2.07555   0.00049   0.00000   0.00087   0.00087   2.07642
   R53        2.52568   0.00374   0.00000   0.00436   0.00435   2.53003
   R54        2.05558   0.00265   0.00000   0.00460   0.00460   2.06018
   R55        2.79143  -0.00103   0.00000  -0.00023  -0.00023   2.79120
   R56        2.05001   0.00242   0.00000   0.00416   0.00416   2.05417
   R57        2.06481   0.00990   0.00000   0.01744   0.01744   2.08225
   R58        2.05531   0.01201   0.00000   0.02082   0.02082   2.07613
   R59        2.78578   0.00735   0.00000   0.01477   0.01475   2.80053
   R60        2.04807   0.00349   0.00000   0.00598   0.00598   2.05405
    A1        1.95385   0.00053   0.00000   0.00182   0.00182   1.95567
    A2        1.87902   0.01146   0.00000   0.03975   0.03975   1.91877
    A3        1.87632   0.01179   0.00000   0.04090   0.04090   1.91722
    A4        1.73275  -0.00201   0.00000   0.00315   0.00300   1.73575
    A5        1.87393   0.00225   0.00000   0.00892   0.00888   1.88281
    A6        1.97750   0.00086   0.00000   0.00120   0.00127   1.97876
    A7        2.02514   0.00291   0.00000   0.01282   0.01272   2.03786
    A8        1.91967   0.00008   0.00000  -0.00430  -0.00423   1.91544
    A9        1.92845  -0.00366   0.00000  -0.01857  -0.01859   1.90986
   A10        1.98049  -0.00327   0.00000  -0.01442  -0.01441   1.96607
   A11        1.81141   0.00209   0.00000   0.00346   0.00341   1.81482
   A12        1.89211  -0.00070   0.00000  -0.00350  -0.00346   1.88865
   A13        2.07299  -0.00083   0.00000  -0.00668  -0.00680   2.06618
   A14        1.85373   0.00408   0.00000   0.02106   0.02109   1.87482
   A15        1.84353  -0.00144   0.00000   0.00043   0.00041   1.84394
   A16        1.90411   0.00088   0.00000   0.00122   0.00116   1.90528
   A17        1.92583   0.00085   0.00000   0.01024   0.01019   1.93602
   A18        1.90904  -0.00129   0.00000  -0.00581  -0.00589   1.90315
   A19        1.94046   0.00052   0.00000   0.00148   0.00148   1.94193
   A20        1.91260  -0.00237   0.00000  -0.01685  -0.01684   1.89576
   A21        1.87144   0.00133   0.00000   0.00941   0.00937   1.88081
   A22        1.84406   0.00366   0.00000   0.02661   0.02655   1.87061
   A23        1.82278  -0.00042   0.00000  -0.00138  -0.00170   1.82108
   A24        1.84217  -0.00137   0.00000  -0.00748  -0.00758   1.83459
   A25        1.95584   0.00083   0.00000   0.00698   0.00704   1.96288
   A26        1.95521   0.00176   0.00000  -0.00124  -0.00125   1.95396
   A27        2.02498  -0.00400   0.00000  -0.01950  -0.01966   2.00532
   A28        1.92926   0.00202   0.00000   0.01245   0.01189   1.94114
   A29        1.95186  -0.00861   0.00000  -0.05108  -0.05085   1.90101
   A30        1.82428   0.00540   0.00000   0.02822   0.02750   1.85178
   A31        1.80844   0.00140   0.00000   0.00338   0.00331   1.81174
   A32        1.98469   0.00075   0.00000   0.01459   0.01440   1.99909
   A33        1.96916  -0.00144   0.00000  -0.01006  -0.00996   1.95920
   A34        1.82564  -0.00163   0.00000  -0.00020  -0.00025   1.82539
   A35        1.93576   0.00215   0.00000   0.00874   0.00880   1.94455
   A36        1.94504  -0.00004   0.00000  -0.00066  -0.00069   1.94436
   A37        1.92101  -0.00029   0.00000  -0.00056  -0.00060   1.92041
   A38        1.96372   0.00102   0.00000  -0.00051  -0.00046   1.96327
   A39        1.87366  -0.00111   0.00000  -0.00629  -0.00630   1.86736
   A40        1.97693  -0.00375   0.00000  -0.01413  -0.01402   1.96290
   A41        1.93902  -0.00089   0.00000  -0.00323  -0.00313   1.93589
   A42        1.93087   0.00088   0.00000  -0.00172  -0.00194   1.92893
   A43        1.84821   0.00405   0.00000   0.02671   0.02671   1.87491
   A44        1.88713   0.00058   0.00000  -0.00601  -0.00619   1.88094
   A45        1.87701  -0.00062   0.00000  -0.00010  -0.00008   1.87693
   A46        1.84366   0.00275   0.00000   0.00930   0.00928   1.85294
   A47        2.01111  -0.00562   0.00000  -0.02560  -0.02557   1.98554
   A48        1.93270  -0.00244   0.00000  -0.02303  -0.02307   1.90963
   A49        1.94707   0.00260   0.00000   0.01241   0.01249   1.95956
   A50        1.85797   0.00005   0.00000   0.01498   0.01488   1.87285
   A51        1.86646   0.00296   0.00000   0.01434   0.01369   1.88015
   A52        1.94881  -0.00282   0.00000  -0.02316  -0.02339   1.92542
   A53        1.91641  -0.00373   0.00000  -0.02436  -0.02462   1.89179
   A54        1.87268   0.00320   0.00000   0.01879   0.01908   1.89176
   A55        1.97890   0.00319   0.00000   0.00795   0.00772   1.98662
   A56        1.89938  -0.00137   0.00000   0.00277   0.00251   1.90190
   A57        1.84148   0.00190   0.00000   0.02195   0.02188   1.86337
   A58        1.87485   0.00282   0.00000   0.00708   0.00709   1.88194
   A59        1.99098  -0.00376   0.00000  -0.02027  -0.02023   1.97075
   A60        1.92298  -0.00228   0.00000  -0.00822  -0.00828   1.91471
   A61        1.88407  -0.00036   0.00000   0.00255   0.00251   1.88658
   A62        1.93991   0.00110   0.00000   0.00959   0.00956   1.94947
   A63        1.85170   0.00251   0.00000   0.00983   0.00968   1.86138
   A64        1.95963  -0.00422   0.00000  -0.01098  -0.01103   1.94859
   A65        1.92025   0.00000   0.00000  -0.00372  -0.00371   1.91654
   A66        1.91766   0.00175   0.00000   0.00568   0.00575   1.92340
   A67        1.89470   0.00223   0.00000   0.00760   0.00755   1.90224
   A68        1.90766   0.00186   0.00000   0.00766   0.00771   1.91538
   A69        1.86119  -0.00147   0.00000  -0.00590  -0.00593   1.85525
   A70        1.96741  -0.00049   0.00000   0.00087   0.00084   1.96825
   A71        1.93806   0.00158   0.00000   0.00542   0.00537   1.94344
   A72        1.97384  -0.00607   0.00000  -0.02356  -0.02360   1.95024
   A73        1.86490   0.00076   0.00000   0.00732   0.00729   1.87219
   A74        1.84918   0.00368   0.00000   0.01285   0.01284   1.86202
   A75        1.86311   0.00100   0.00000  -0.00127  -0.00132   1.86178
   A76        1.92621   0.00011   0.00000   0.00054   0.00058   1.92679
   A77        1.92222   0.00058   0.00000   0.00224   0.00218   1.92440
   A78        1.89963   0.00135   0.00000   0.00850   0.00852   1.90815
   A79        1.91667  -0.00058   0.00000  -0.00451  -0.00450   1.91217
   A80        1.94499  -0.00070   0.00000  -0.00183  -0.00189   1.94310
   A81        1.85280  -0.00076   0.00000  -0.00497  -0.00498   1.84781
   A82        2.02423  -0.00229   0.00000  -0.00697  -0.00694   2.01729
   A83        2.16031  -0.00028   0.00000  -0.00487  -0.00488   2.15543
   A84        2.09798   0.00260   0.00000   0.01225   0.01217   2.11015
   A85        2.11696   0.00109   0.00000   0.00256   0.00254   2.11950
   A86        2.13663  -0.00736   0.00000  -0.01735  -0.01737   2.11926
   A87        2.02959   0.00628   0.00000   0.01480   0.01478   2.04438
   A88        1.93272   0.00058   0.00000   0.00053   0.00052   1.93324
   A89        1.92863   0.00165   0.00000   0.00773   0.00771   1.93634
   A90        1.94819  -0.00018   0.00000  -0.00119  -0.00120   1.94699
   A91        1.88314  -0.00083   0.00000  -0.00180  -0.00181   1.88133
   A92        1.88983  -0.00135   0.00000  -0.00843  -0.00844   1.88139
   A93        1.87913   0.00005   0.00000   0.00290   0.00288   1.88201
   A94        1.96672  -0.00217   0.00000  -0.00958  -0.00963   1.95710
   A95        1.96713  -0.00117   0.00000  -0.00481  -0.00485   1.96228
   A96        1.93694  -0.00065   0.00000   0.00050   0.00051   1.93746
   A97        1.87468   0.00052   0.00000  -0.00299  -0.00307   1.87161
   A98        1.86515   0.00185   0.00000   0.00768   0.00769   1.87284
   A99        1.84607   0.00206   0.00000   0.01096   0.01097   1.85704
   A100       2.18754  -0.00155   0.00000  -0.00909  -0.00908   2.17846
   A101       2.05136  -0.00633   0.00000  -0.02015  -0.02015   2.03121
   A102       2.04396   0.00788   0.00000   0.02924   0.02923   2.07319
   A103       2.11933   0.00441   0.00000   0.00951   0.00954   2.12888
   A104       2.12571   0.00121   0.00000   0.00709   0.00707   2.13278
   A105       2.03803  -0.00562   0.00000  -0.01658  -0.01659   2.02143
   A106       1.93168   0.00350   0.00000   0.00970   0.00964   1.94132
   A107       1.87893  -0.00825   0.00000  -0.03863  -0.03854   1.84038
   A108       1.86230   0.00524   0.00000   0.02909   0.02911   1.89140
   A109       1.89556   0.00351   0.00000   0.00907   0.00907   1.90464
   A110       1.99330  -0.00481   0.00000  -0.01172  -0.01190   1.98140
   A111       1.89865   0.00038   0.00000   0.00018   0.00035   1.89900
   A112       2.10296   0.00373   0.00000   0.01026   0.01025   2.11320
   A113       2.11818   0.00258   0.00000   0.01030   0.01031   2.12848
   A114       2.06200  -0.00631   0.00000  -0.02053  -0.02053   2.04147
   A115       2.11375   0.00438   0.00000   0.00932   0.00932   2.12307
   A116       2.11367   0.00305   0.00000   0.00620   0.00620   2.11987
   A117       2.05575  -0.00743   0.00000  -0.01550  -0.01550   2.04025
    D1        0.95772   0.00145   0.00000   0.00448   0.00474   0.96246
    D2        2.96297  -0.00075   0.00000  -0.01429  -0.01418   2.94879
    D3       -1.18436  -0.00387   0.00000  -0.03714  -0.03752  -1.22188
    D4       -1.82887   0.00052   0.00000  -0.00410  -0.00359  -1.83246
    D5        2.24397   0.00129   0.00000   0.02131   0.02086   2.26483
    D6        0.25096  -0.00078   0.00000  -0.00229  -0.00235   0.24861
    D7        1.15301  -0.00171   0.00000  -0.01131  -0.01115   1.14186
    D8       -3.06097  -0.00046   0.00000  -0.01812  -0.01796  -3.07893
    D9       -1.02530  -0.00145   0.00000  -0.02231  -0.02263  -1.04793
   D10        3.10172  -0.00462   0.00000  -0.03366  -0.03365   3.06807
   D11        0.82742  -0.00292   0.00000  -0.01778  -0.01777   0.80965
   D12       -1.12668  -0.00198   0.00000  -0.01845  -0.01841  -1.14508
   D13       -1.06728  -0.00146   0.00000  -0.01453  -0.01452  -1.08181
   D14        2.94160   0.00025   0.00000   0.00135   0.00136   2.94296
   D15        0.98751   0.00119   0.00000   0.00068   0.00072   0.98823
   D16        1.06694  -0.00393   0.00000  -0.03093  -0.03095   1.03600
   D17       -1.20736  -0.00223   0.00000  -0.01505  -0.01506  -1.22242
   D18        3.12173  -0.00128   0.00000  -0.01572  -0.01570   3.10603
   D19        1.35067  -0.00505   0.00000  -0.02984  -0.02989   1.32077
   D20       -0.74301   0.00329   0.00000   0.02219   0.02222  -0.72080
   D21       -2.88702   0.00369   0.00000   0.02396   0.02394  -2.86308
   D22       -0.64964  -0.00766   0.00000  -0.04750  -0.04763  -0.69726
   D23       -2.74332   0.00068   0.00000   0.00454   0.00449  -2.73883
   D24        1.39586   0.00108   0.00000   0.00631   0.00621   1.40207
   D25       -2.85427  -0.00506   0.00000  -0.02856  -0.02859  -2.88286
   D26        1.33524   0.00328   0.00000   0.02348   0.02352   1.35876
   D27       -0.80877   0.00368   0.00000   0.02525   0.02524  -0.78352
   D28        0.96225   0.00027   0.00000   0.00746   0.00748   0.96973
   D29       -1.11543  -0.00175   0.00000  -0.01493  -0.01498  -1.13041
   D30        3.08428  -0.00098   0.00000  -0.01159  -0.01159   3.07270
   D31        2.88081   0.00072   0.00000   0.02349   0.02359   2.90440
   D32        0.80313  -0.00130   0.00000   0.00110   0.00113   0.80426
   D33       -1.28035  -0.00053   0.00000   0.00445   0.00452  -1.27582
   D34       -1.20217   0.00001   0.00000   0.01176   0.01179  -1.19038
   D35        3.00334  -0.00201   0.00000  -0.01063  -0.01068   2.99266
   D36        0.91986  -0.00124   0.00000  -0.00728  -0.00728   0.91258
   D37        1.18984  -0.00175   0.00000  -0.00850  -0.00855   1.18130
   D38       -3.00142  -0.00001   0.00000   0.00530   0.00525  -2.99617
   D39       -0.90738  -0.00178   0.00000  -0.00873  -0.00876  -0.91615
   D40       -0.73159   0.00017   0.00000  -0.01044  -0.01038  -0.74198
   D41        1.36033   0.00192   0.00000   0.00335   0.00341   1.36374
   D42       -2.82882   0.00015   0.00000  -0.01067  -0.01060  -2.83942
   D43       -2.98974  -0.00089   0.00000  -0.00957  -0.00959  -2.99933
   D44       -0.89782   0.00085   0.00000   0.00423   0.00420  -0.89362
   D45        1.19621  -0.00092   0.00000  -0.00980  -0.00981   1.18641
   D46        1.04630  -0.00120   0.00000  -0.00080  -0.00084   1.04546
   D47       -3.10023   0.00057   0.00000   0.00846   0.00845  -3.09178
   D48       -1.04556   0.00193   0.00000   0.02249   0.02238  -1.02318
   D49       -3.10174  -0.00195   0.00000  -0.01494  -0.01481  -3.11655
   D50       -0.96508  -0.00017   0.00000  -0.00569  -0.00552  -0.97060
   D51        1.08959   0.00118   0.00000   0.00835   0.00841   1.09800
   D52       -1.03065  -0.00115   0.00000  -0.00208  -0.00200  -1.03265
   D53        1.10601   0.00062   0.00000   0.00718   0.00729   1.11330
   D54       -3.12251   0.00198   0.00000   0.02121   0.02122  -3.10129
   D55       -0.59111   0.00014   0.00000   0.00376   0.00381  -0.58731
   D56        1.47929  -0.00006   0.00000   0.00740   0.00743   1.48672
   D57       -2.71746  -0.00006   0.00000   0.00486   0.00489  -2.71257
   D58       -2.80874   0.00332   0.00000   0.02503   0.02504  -2.78369
   D59       -0.73833   0.00312   0.00000   0.02867   0.02866  -0.70967
   D60        1.34810   0.00313   0.00000   0.02613   0.02613   1.37423
   D61        1.39807  -0.00034   0.00000   0.00149   0.00155   1.39962
   D62       -2.81471  -0.00054   0.00000   0.00512   0.00517  -2.80955
   D63       -0.72828  -0.00053   0.00000   0.00259   0.00263  -0.72565
   D64        1.07685   0.00246   0.00000   0.02046   0.02044   1.09728
   D65       -0.89782   0.00051   0.00000   0.00384   0.00365  -0.89417
   D66        3.07414   0.00380   0.00000   0.02619   0.02614   3.10027
   D67       -1.05099   0.00046   0.00000   0.00584   0.00587  -1.04513
   D68       -3.02566  -0.00149   0.00000  -0.01078  -0.01092  -3.03658
   D69        0.94630   0.00180   0.00000   0.01158   0.01157   0.95786
   D70       -3.11668   0.00000   0.00000   0.00397   0.00402  -3.11266
   D71        1.19184  -0.00195   0.00000  -0.01265  -0.01276   1.17908
   D72       -1.11939   0.00134   0.00000   0.00970   0.00972  -1.10967
   D73       -3.05873  -0.00146   0.00000  -0.01083  -0.01087  -3.06959
   D74        1.11223  -0.00146   0.00000  -0.01053  -0.01054   1.10170
   D75       -0.93180  -0.00072   0.00000  -0.00451  -0.00451  -0.93631
   D76       -0.94357   0.00058   0.00000  -0.00136  -0.00140  -0.94497
   D77       -3.05579   0.00058   0.00000  -0.00106  -0.00107  -3.05686
   D78        1.18336   0.00132   0.00000   0.00496   0.00495   1.18832
   D79        1.14677  -0.00118   0.00000  -0.01518  -0.01524   1.13153
   D80       -0.96546  -0.00119   0.00000  -0.01488  -0.01491  -0.98036
   D81       -3.00949  -0.00044   0.00000  -0.00885  -0.00888  -3.01837
   D82        2.96228  -0.00033   0.00000   0.00279   0.00276   2.96503
   D83       -1.14504  -0.00510   0.00000  -0.04218  -0.04219  -1.18723
   D84        0.89835  -0.00171   0.00000  -0.00821  -0.00822   0.89013
   D85       -1.33309   0.00411   0.00000   0.03647   0.03642  -1.29667
   D86        0.84277  -0.00065   0.00000  -0.00851  -0.00853   0.83425
   D87        2.88617   0.00273   0.00000   0.02546   0.02545   2.91162
   D88        0.94287   0.00371   0.00000   0.02306   0.02304   0.96591
   D89        3.11873  -0.00106   0.00000  -0.02192  -0.02191   3.09683
   D90       -1.12106   0.00233   0.00000   0.01205   0.01207  -1.10899
   D91        1.07563   0.00287   0.00000   0.01413   0.01404   1.08967
   D92       -3.12013   0.00205   0.00000   0.00976   0.00964  -3.11049
   D93       -1.03989   0.00112   0.00000   0.00290   0.00291  -1.03697
   D94       -0.92282  -0.00155   0.00000  -0.01252  -0.01247  -0.93529
   D95        1.16460  -0.00236   0.00000  -0.01688  -0.01687   1.14773
   D96       -3.03834  -0.00329   0.00000  -0.02375  -0.02359  -3.06193
   D97        3.08410  -0.00070   0.00000  -0.00303  -0.00316   3.08094
   D98       -1.11166  -0.00152   0.00000  -0.00739  -0.00757  -1.11922
   D99        0.96858  -0.00245   0.00000  -0.01426  -0.01429   0.95429
   D100      -1.68031  -0.00093   0.00000  -0.01013  -0.01013  -1.69044
   D101       0.47724   0.00081   0.00000  -0.00385  -0.00390   0.47333
   D102       2.59815  -0.00131   0.00000  -0.02166  -0.02131   2.57684
   D103       0.39790  -0.00200   0.00000  -0.01888  -0.01892   0.37898
   D104       2.55544  -0.00026   0.00000  -0.01259  -0.01269   2.54275
   D105      -1.60683  -0.00238   0.00000  -0.03041  -0.03010  -1.63693
   D106       2.55214  -0.00097   0.00000  -0.00448  -0.00479   2.54735
   D107      -1.57350   0.00077   0.00000   0.00180   0.00144  -1.57206
   D108       0.54741  -0.00135   0.00000  -0.01601  -0.01597   0.53144
   D109      -2.12503   0.00399   0.00000   0.01737   0.01764  -2.10738
   D110       1.01706   0.00338   0.00000   0.00658   0.00679   1.02385
   D111       2.05260  -0.00250   0.00000  -0.02485  -0.02505   2.02755
   D112      -1.08850  -0.00312   0.00000  -0.03564  -0.03590  -1.12440
   D113      -0.00052  -0.00382   0.00000  -0.03232  -0.03230  -0.03281
   D114       3.14157  -0.00443   0.00000  -0.04311  -0.04315   3.09842
   D115       0.11376   0.00052   0.00000   0.00833   0.00841   0.12218
   D116      -2.08371   0.00399   0.00000   0.02599   0.02602  -2.05769
   D117       2.16933  -0.00094   0.00000  -0.00648  -0.00645   2.16288
   D118      -1.96662  -0.00095   0.00000  -0.00157  -0.00151  -1.96812
   D119       2.11909   0.00253   0.00000   0.01609   0.01610   2.13519
   D120       0.08895  -0.00240   0.00000  -0.01638  -0.01637   0.07258
   D121       2.22780  -0.00001   0.00000   0.00711   0.00717   2.23496
   D122       0.03033   0.00347   0.00000   0.02477   0.02477   0.05509
   D123      -1.99982  -0.00146   0.00000  -0.00770  -0.00770  -2.00752
   D124       1.30213  -0.00310   0.00000  -0.03532  -0.03527   1.26686
   D125      -0.89115   0.00118   0.00000   0.00862   0.00862  -0.88252
   D126      -2.96813  -0.00015   0.00000  -0.01343  -0.01358  -2.98171
   D127      -2.85181  -0.00370   0.00000  -0.02958  -0.02953  -2.88135
   D128       1.23809   0.00058   0.00000   0.01436   0.01436   1.25246
   D129      -0.83889  -0.00075   0.00000  -0.00769  -0.00784  -0.84673
   D130      -0.84426  -0.00214   0.00000  -0.01931  -0.01928  -0.86354
   D131      -3.03754   0.00214   0.00000   0.02463   0.02462  -3.01292
   D132       1.16867   0.00082   0.00000   0.00258   0.00241   1.17108
   D133       1.01574  -0.00254   0.00000  -0.01492  -0.01492   1.00083
   D134       3.10134  -0.00214   0.00000  -0.01182  -0.01182   3.08952
   D135      -1.09121  -0.00109   0.00000  -0.00377  -0.00376  -1.09498
   D136       3.11762  -0.00101   0.00000  -0.01173  -0.01188   3.10574
   D137      -1.07997  -0.00060   0.00000  -0.00863  -0.00879  -1.08876
   D138       1.01067   0.00044   0.00000  -0.00057  -0.00073   1.00993
   D139      -1.14061   0.00217   0.00000   0.02129   0.02144  -1.11916
   D140       0.94499   0.00258   0.00000   0.02439   0.02454   0.96953
   D141       3.03562   0.00362   0.00000   0.03244   0.03260   3.06822
   D142       0.97007   0.00032   0.00000   0.00608   0.00601   0.97609
   D143      -2.13222  -0.00050   0.00000  -0.00633  -0.00631  -2.13853
   D144      -1.18435   0.00339   0.00000   0.02480   0.02471  -1.15964
   D145       1.99654   0.00257   0.00000   0.01238   0.01238   2.00893
   D146       3.07492  -0.00003   0.00000   0.00620   0.00613   3.08106
   D147      -0.02737  -0.00085   0.00000  -0.00621  -0.00619  -0.03356
   D148      -0.78593  -0.00088   0.00000  -0.00211  -0.00218  -0.78811
   D149       1.33934  -0.00271   0.00000  -0.01686  -0.01688   1.32246
   D150      -2.87691  -0.00132   0.00000  -0.00577  -0.00582  -2.88273
   D151       1.29629   0.00008   0.00000  -0.00404  -0.00406   1.29223
   D152      -2.86163  -0.00175   0.00000  -0.01878  -0.01876  -2.88039
   D153      -0.79469  -0.00036   0.00000  -0.00770  -0.00770  -0.80239
   D154      -2.90609   0.00252   0.00000   0.01371   0.01374  -2.89235
   D155      -0.78082   0.00070   0.00000  -0.00103  -0.00096  -0.78178
   D156       1.28611   0.00209   0.00000   0.01005   0.01010   1.29622
   D157       2.10309   0.00310   0.00000   0.01471   0.01465   2.11774
   D158      -1.06669   0.00295   0.00000   0.01541   0.01537  -1.05131
   D159       0.02688   0.00036   0.00000   0.00511   0.00513   0.03201
   D160       3.14029   0.00021   0.00000   0.00581   0.00586  -3.13704
   D161      -2.01688  -0.00124   0.00000  -0.00865  -0.00877  -2.02564
   D162       1.09653  -0.00140   0.00000  -0.00796  -0.00804   1.08849
   D163       0.94112   0.00040   0.00000  -0.00207  -0.00203   0.93909
   D164      -1.17799   0.00067   0.00000   0.00174   0.00179  -1.17620
   D165       3.08071   0.00048   0.00000   0.00159   0.00165   3.08236
   D166       3.06797  -0.00080   0.00000  -0.00866  -0.00868   3.05929
   D167       0.94886  -0.00053   0.00000  -0.00484  -0.00486   0.94400
   D168      -1.07562  -0.00072   0.00000  -0.00499  -0.00501  -1.08063
   D169      -1.19150  -0.00030   0.00000  -0.00732  -0.00730  -1.19879
   D170       2.97258  -0.00003   0.00000  -0.00350  -0.00348   2.96910
   D171       0.94810  -0.00022   0.00000  -0.00365  -0.00363   0.94447
   D172      -0.99162   0.00008   0.00000   0.00165   0.00169  -0.98993
   D173       2.11217   0.00080   0.00000   0.01319   0.01328   2.12545
   D174       1.13078   0.00049   0.00000   0.00183   0.00184   1.13262
   D175      -2.04861   0.00122   0.00000   0.01338   0.01343  -2.03519
   D176      -3.10440  -0.00123   0.00000  -0.00825  -0.00823  -3.11264
   D177      -0.00061  -0.00051   0.00000   0.00330   0.00335   0.00274
   D178       0.00450   0.00078   0.00000   0.00530   0.00526   0.00976
   D179       3.12967   0.00052   0.00000   0.00675   0.00677   3.13644
   D180      -3.09621   0.00003   0.00000  -0.00718  -0.00726  -3.10347
   D181       0.02896  -0.00023   0.00000  -0.00573  -0.00576   0.02321
   D182       0.53383  -0.00494   0.00000  -0.04159  -0.04153   0.49229
   D183      -1.52525   0.00093   0.00000  -0.00572  -0.00568  -1.53093
   D184       2.63571   0.00110   0.00000  -0.00474  -0.00473   2.63098
   D185      -2.60827  -0.00432   0.00000  -0.03066  -0.03068  -2.63894
   D186       1.61584   0.00156   0.00000   0.00521   0.00518   1.62102
   D187      -0.50638   0.00172   0.00000   0.00619   0.00613  -0.50026
   D188      -0.00307   0.00008   0.00000  -0.00323  -0.00326  -0.00633
   D189       3.12694  -0.00010   0.00000  -0.00048  -0.00046   3.12648
   D190      -3.11659   0.00044   0.00000  -0.00320  -0.00327  -3.11985
   D191       0.01342   0.00026   0.00000  -0.00046  -0.00047   0.01295
   D192      -3.12499  -0.00009   0.00000   0.00157   0.00160  -3.12339
   D193       0.02198  -0.00040   0.00000  -0.00312  -0.00310   0.01888
   D194       0.03224   0.00011   0.00000  -0.00002  -0.00002   0.03222
   D195      -3.10398  -0.00020   0.00000  -0.00470  -0.00471  -3.10869
   D196       3.12426  -0.00036   0.00000  -0.00269  -0.00268   3.12158
   D197      -0.02271  -0.00005   0.00000   0.00200   0.00202  -0.02069
   D198      -0.00612  -0.00024   0.00000  -0.00554  -0.00554  -0.01165
   D199       3.13010   0.00008   0.00000  -0.00085  -0.00084   3.12926
         Item               Value     Threshold  Converged?
 Maximum Force            0.035901     0.000450     NO 
 RMS     Force            0.004652     0.000300     NO 
 Maximum Displacement     0.430026     0.001800     NO 
 RMS     Displacement     0.062957     0.001200     NO 
 Predicted change in Energy=-1.510382D-02
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C22H29FO5
 Framework group  C1[X(C22H29FO5)]
 Deg. of freedom   165
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          9           0        1.492877   -0.053991   -1.337150
      2          8           0       -2.939774    0.340633   -1.802488
      3          8           0        0.416786   -2.086942    1.417214
      4          8           0       -5.158735    0.076909    0.654408
      5          8           0       -5.658991   -2.313062   -0.619735
      6          8           0        6.352329   -0.146572   -1.645475
      7          6           0       -1.661023   -0.144916    0.270343
      8          6           0       -0.757906    1.096762    0.017583
      9          6           0        0.641713    0.946863    0.636731
     10          6           0        1.346059   -0.299826    0.015370
     11          6           0       -3.002347    0.375640   -0.372101
     12          6           0       -1.628762    2.285525    0.458076
     13          6           0       -0.995268   -1.358340   -0.403051
     14          6           0       -3.086195    1.861339    0.094126
     15          6           0        0.458573   -1.579817    0.081063
     16          6           0        2.803359   -0.479747    0.558089
     17          6           0        1.477703    2.225256    0.424432
     18          6           0       -1.881670   -0.445050    1.761461
     19          6           0        2.910790    2.057380    0.945829
     20          6           0        3.550848    0.836748    0.338275
     21          6           0       -4.251685   -0.428529    0.019543
     22          6           0       -3.720209    2.793601   -0.934127
     23          6           0        2.846750   -0.808522    2.059238
     24          6           0        3.477116   -1.633349   -0.158926
     25          6           0        4.686869    0.934535   -0.371438
     26          6           0       -4.312715   -1.886519   -0.434373
     27          6           0        4.608315   -1.536342   -0.868472
     28          6           0        5.309192   -0.239074   -1.017198
     29          1           0       -0.625119    1.212856   -1.083902
     30          1           0        0.539156    0.787971    1.725933
     31          1           0       -1.547350    2.463749    1.540834
     32          1           0       -1.323638    3.213613   -0.043814
     33          1           0       -0.963100   -1.232398   -1.498158
     34          1           0       -1.562923   -2.276118   -0.191537
     35          1           0       -3.689189    1.922777    1.022565
     36          1           0        0.899416   -2.358601   -0.575401
     37          1           0        1.003330    3.072641    0.945730
     38          1           0        1.499428    2.493245   -0.646708
     39          1           0       -2.479381    0.322348    2.264353
     40          1           0       -2.394802   -1.401881    1.903867
     41          1           0       -0.934945   -0.512541    2.305674
     42          1           0        2.908978    1.965001    2.045210
     43          1           0        3.490573    2.968897    0.720512
     44          1           0       -4.727651    2.452886   -1.198447
     45          1           0       -3.804033    3.812454   -0.539913
     46          1           0       -3.128940    2.837998   -1.856050
     47          1           0        2.173879   -0.170188    2.640917
     48          1           0        2.569495   -1.847176    2.267668
     49          1           0        3.859065   -0.670511    2.463618
     50          1           0       -2.714900   -0.542469   -2.135801
     51          1           0        3.003607   -2.610026   -0.056802
     52          1           0        0.976111   -2.882576    1.488554
     53          1           0        5.198351    1.882396   -0.518272
     54          1           0       -3.908097   -2.530210    0.363177
     55          1           0       -3.757178   -2.080602   -1.362127
     56          1           0        5.059051   -2.398533   -1.353179
     57          1           0       -6.065033   -1.818514   -1.358377
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.4155904      0.1033797      0.0950899
 Standard basis: VSTO-6G (5D, 7F)
 There are   141 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   141 basis functions,   846 primitive gaussians,   141 cartesian basis functions
    77 alpha electrons       77 beta electrons
       nuclear repulsion energy      1659.4241408866 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   141 RedAO= F  NBF=   141
 NBsUse=   141 1.00D-04 NBFU=   141
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=982442.
 SCF Done:  E(RPM6) = -0.400614122294     A.U. after   14 cycles
             Convg  =    0.3079D-08             -V/T =  0.9988
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        9           0.000706864    0.002558958   -0.001966790
      2        8          -0.002593354   -0.009005545   -0.000614132
      3        8          -0.003230776   -0.001957097   -0.002628655
      4        8           0.014732440    0.008666801    0.009808721
      5        8           0.002660738    0.004177015   -0.004375175
      6        8          -0.007332318    0.001490646   -0.004281756
      7        6           0.004297221    0.001425459   -0.003441806
      8        6           0.002929409   -0.003000156   -0.001210741
      9        6           0.000111664   -0.002571337    0.004157276
     10        6          -0.004284614   -0.008348177   -0.001637411
     11        6           0.005881392    0.006974217   -0.002122755
     12        6          -0.000733837    0.003979649   -0.000815624
     13        6           0.002110478   -0.002580434   -0.005448529
     14        6           0.006324242   -0.009789307    0.006219441
     15        6          -0.002264184   -0.000144340    0.009188630
     16        6           0.004631688    0.001396372    0.000610628
     17        6           0.000339996    0.003901639   -0.000611916
     18        6          -0.006093526   -0.001120644    0.004987443
     19        6          -0.001787507    0.005260789    0.002337057
     20        6          -0.000606855   -0.005090790    0.001718172
     21        6          -0.020532347   -0.008573534   -0.013397331
     22        6           0.001874572    0.002034444   -0.001566355
     23        6           0.002107518   -0.000719688   -0.001036180
     24        6           0.004401882    0.003723330    0.004217292
     25        6          -0.005939695    0.005236301   -0.003849249
     26        6          -0.001611514   -0.003825142    0.004519416
     27        6          -0.008664356   -0.000598800   -0.006479312
     28        6           0.015170017   -0.005354206    0.008708495
     29        1          -0.000390641    0.000802627    0.005356824
     30        1          -0.000326473    0.004011233   -0.006435277
     31        1           0.000424155   -0.001449235   -0.000857322
     32        1          -0.000632102   -0.001054644    0.000635177
     33        1          -0.002062713   -0.000852153    0.003248781
     34        1          -0.001798402    0.002948166   -0.000569230
     35        1          -0.005043605    0.003530583   -0.003636014
     36        1           0.003182558    0.003834739    0.001807347
     37        1          -0.002033194   -0.001875500   -0.000361218
     38        1           0.000004339   -0.001339417    0.002036980
     39        1          -0.000065607   -0.000584639    0.000074967
     40        1           0.000594149    0.000456261   -0.000929479
     41        1           0.003325673    0.001543716   -0.000200964
     42        1           0.000494243   -0.000486545   -0.003605678
     43        1           0.001960799   -0.002347102    0.000216740
     44        1          -0.000438587    0.000164306    0.001021730
     45        1          -0.000339020    0.000047848    0.000371895
     46        1          -0.000369602    0.001178351    0.001278397
     47        1          -0.001606005   -0.000207981   -0.000206250
     48        1          -0.001790500    0.000204041   -0.000173441
     49        1           0.000330225   -0.000234408    0.000303179
     50        1           0.002265345    0.003266421   -0.000186920
     51        1          -0.003051186   -0.000620417   -0.001596048
     52        1           0.000843010    0.001015485   -0.001671316
     53        1           0.002043692   -0.000471569    0.001112284
     54        1          -0.001648994    0.004165223   -0.003474794
     55        1           0.003359051   -0.000913589    0.002703757
     56        1           0.002637923   -0.000272854    0.001787162
     57        1          -0.002473769   -0.002605370    0.000959875
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.020532347 RMS     0.004226954

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.019701196 RMS     0.001856966
 Search for a local minimum.
 Step number   2 out of a maximum of  342
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Update second derivatives using D2CorX and points    1    2
 DE= -1.35D-02 DEPred=-1.51D-02 R= 8.94D-01
 SS=  1.41D+00  RLast= 3.00D-01 DXNew= 5.0454D-01 8.9993D-01
 Trust test= 8.94D-01 RLast= 3.00D-01 DXMaxT set to 5.05D-01
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.00230   0.00230   0.00294   0.00415   0.00423
     Eigenvalues ---    0.00470   0.00538   0.00555   0.00583   0.00669
     Eigenvalues ---    0.00705   0.00754   0.01088   0.01263   0.01298
     Eigenvalues ---    0.01381   0.01440   0.01456   0.01530   0.01597
     Eigenvalues ---    0.01691   0.01739   0.02077   0.02207   0.02257
     Eigenvalues ---    0.02394   0.02949   0.03169   0.03641   0.03728
     Eigenvalues ---    0.03991   0.04018   0.04271   0.04383   0.04523
     Eigenvalues ---    0.04610   0.04721   0.04816   0.04926   0.05000
     Eigenvalues ---    0.05098   0.05176   0.05184   0.05292   0.05333
     Eigenvalues ---    0.05358   0.05410   0.05499   0.05563   0.05585
     Eigenvalues ---    0.05736   0.05907   0.06060   0.06191   0.06568
     Eigenvalues ---    0.06621   0.06882   0.07019   0.07135   0.07186
     Eigenvalues ---    0.07338   0.07657   0.08002   0.08170   0.08185
     Eigenvalues ---    0.08221   0.08310   0.09095   0.09235   0.10554
     Eigenvalues ---    0.11097   0.11700   0.11859   0.12731   0.13313
     Eigenvalues ---    0.13777   0.14590   0.14894   0.15472   0.15782
     Eigenvalues ---    0.15992   0.15999   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16086   0.16327
     Eigenvalues ---    0.16471   0.18052   0.18423   0.19147   0.20672
     Eigenvalues ---    0.21464   0.22091   0.22599   0.23224   0.24505
     Eigenvalues ---    0.24832   0.24966   0.25000   0.25231   0.25383
     Eigenvalues ---    0.26563   0.26708   0.26723   0.27282   0.27613
     Eigenvalues ---    0.27823   0.28253   0.28439   0.28540   0.28955
     Eigenvalues ---    0.29277   0.29672   0.29784   0.30505   0.31162
     Eigenvalues ---    0.32796   0.33532   0.33837   0.33867   0.33888
     Eigenvalues ---    0.33953   0.34024   0.34064   0.34069   0.34093
     Eigenvalues ---    0.34156   0.34208   0.34216   0.34237   0.34242
     Eigenvalues ---    0.34246   0.34283   0.34289   0.34298   0.34355
     Eigenvalues ---    0.34366   0.34478   0.34565   0.34650   0.34982
     Eigenvalues ---    0.35073   0.35408   0.35533   0.37063   0.42291
     Eigenvalues ---    0.42770   0.47033   0.47957   0.52818   0.52927
     Eigenvalues ---    0.53492   0.54019   0.57960   0.87977   0.92445
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.00000
 RFO step:  Lambda=-6.24084335D-03 EMin= 2.29984307D-03
 Quartic linear search produced a step of  0.50308.
 Iteration  1 RMS(Cart)=  0.07599193 RMS(Int)=  0.00349889
 Iteration  2 RMS(Cart)=  0.00499771 RMS(Int)=  0.00022407
 Iteration  3 RMS(Cart)=  0.00001985 RMS(Int)=  0.00022318
 Iteration  4 RMS(Cart)=  0.00000001 RMS(Int)=  0.00022318
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.61254  -0.00226  -0.00366  -0.00264  -0.00630   2.60624
    R2        2.70643  -0.00105   0.00824  -0.01324  -0.00500   2.70144
    R3        1.83365   0.00347   0.00359   0.00525   0.00884   1.84250
    R4        2.70186   0.00381   0.01020   0.00116   0.01135   2.71321
    R5        1.84281   0.00147   0.00279   0.00084   0.00363   1.84644
    R6        2.29993  -0.01970  -0.01238  -0.01780  -0.03017   2.26976
    R7        2.69162  -0.00016   0.01180  -0.01425  -0.00245   2.68917
    R8        1.84676   0.00303   0.00456   0.00312   0.00767   1.85443
    R9        2.30781  -0.00858  -0.00490  -0.00807  -0.01297   2.29483
   R10        2.94050   0.00193   0.01105  -0.00683   0.00370   2.94420
   R11        2.97766  -0.00257   0.01738  -0.03391  -0.01664   2.96102
   R12        2.90863  -0.00156  -0.00327  -0.00582  -0.00904   2.89959
   R13        2.90441  -0.00342  -0.01629   0.00153  -0.01476   2.88965
   R14        2.90597  -0.00188   0.00102  -0.01287  -0.01210   2.89387
   R15        2.90648   0.00079   0.00912  -0.00636   0.00299   2.90947
   R16        2.10802   0.00517   0.01249   0.00762   0.02011   2.12814
   R17        2.94968  -0.00242  -0.00620  -0.00655  -0.01295   2.93674
   R18        2.91425  -0.00125   0.00207  -0.00922  -0.00723   2.90702
   R19        2.08909   0.00690   0.01048   0.01678   0.02726   2.11635
   R20        2.94599   0.00212   0.00075   0.01576   0.01696   2.96295
   R21        2.95828   0.00191  -0.01364   0.02765   0.01403   2.97231
   R22        2.94682  -0.00015   0.00061  -0.00313  -0.00268   2.94414
   R23        2.90362   0.00588   0.03381  -0.01374   0.02006   2.92368
   R24        2.94973  -0.00105   0.00847  -0.01726  -0.00872   2.94101
   R25        2.07935   0.00113   0.00371   0.00041   0.00412   2.08346
   R26        2.07555   0.00101   0.00302   0.00070   0.00372   2.07927
   R27        2.92576  -0.00216   0.00216  -0.01151  -0.00908   2.91668
   R28        2.08398   0.00323   0.00750   0.00481   0.01231   2.09629
   R29        2.07809   0.00350   0.00556   0.00820   0.01375   2.09184
   R30        2.88354  -0.00158  -0.00004  -0.00763  -0.00767   2.87588
   R31        2.09528   0.00559   0.01048   0.01150   0.02197   2.11725
   R32        2.09733   0.00506   0.01207   0.00731   0.01939   2.11672
   R33        2.89086   0.00009  -0.00342   0.00310  -0.00027   2.89059
   R34        2.90516   0.00088  -0.00828   0.01451   0.00623   2.91138
   R35        2.86520   0.00089  -0.00569   0.00962   0.00389   2.86908
   R36        2.89922   0.00104   0.00965  -0.00669   0.00293   2.90215
   R37        2.08286   0.00251   0.00553   0.00416   0.00969   2.09254
   R38        2.08696   0.00229   0.00585   0.00287   0.00872   2.09568
   R39        2.06928   0.00041   0.00049   0.00117   0.00167   2.07094
   R40        2.06932   0.00025   0.00003   0.00104   0.00106   2.07038
   R41        2.06751   0.00303   0.00233   0.00996   0.01228   2.07979
   R42        2.84637  -0.00165  -0.00094  -0.00422  -0.00501   2.84136
   R43        2.08485   0.00356   0.00680   0.00708   0.01388   2.09874
   R44        2.08537   0.00301   0.00638   0.00528   0.01166   2.09703
   R45        2.53801  -0.00113   0.00073  -0.00391  -0.00315   2.53485
   R46        2.88794   0.00104   0.01368  -0.01141   0.00227   2.89021
   R47        2.07086   0.00071   0.00121   0.00156   0.00277   2.07363
   R48        2.07052  -0.00014   0.00039  -0.00107  -0.00068   2.06984
   R49        2.07140   0.00083   0.00110   0.00219   0.00330   2.07470
   R50        2.06886   0.00123   0.00084   0.00422   0.00505   2.07392
   R51        2.06933   0.00067   0.00039   0.00239   0.00278   2.07211
   R52        2.07642   0.00022   0.00044   0.00042   0.00086   2.07728
   R53        2.53003  -0.00221   0.00219  -0.00792  -0.00575   2.52428
   R54        2.06018   0.00091   0.00231   0.00105   0.00337   2.06355
   R55        2.79120   0.00015  -0.00012   0.00210   0.00203   2.79323
   R56        2.05417   0.00152   0.00209   0.00377   0.00586   2.06004
   R57        2.08225   0.00434   0.00877   0.00789   0.01666   2.09891
   R58        2.07613   0.00383   0.01048   0.00348   0.01395   2.09009
   R59        2.80053   0.00354   0.00742   0.00741   0.01485   2.81537
   R60        2.05405   0.00167   0.00301   0.00328   0.00629   2.06034
    A1        1.95567  -0.00243   0.00092  -0.02279  -0.02188   1.93380
    A2        1.91877   0.00271   0.02000  -0.00150   0.01849   1.93726
    A3        1.91722   0.00123   0.02057  -0.01537   0.00521   1.92242
    A4        1.73575  -0.00079   0.00151   0.00272   0.00414   1.73990
    A5        1.88281   0.00110   0.00447   0.00299   0.00720   1.89002
    A6        1.97876   0.00057   0.00064   0.01221   0.01294   1.99170
    A7        2.03786   0.00002   0.00640  -0.01546  -0.00909   2.02877
    A8        1.91544  -0.00056  -0.00213  -0.01673  -0.01880   1.89664
    A9        1.90986  -0.00028  -0.00935   0.01418   0.00462   1.91448
   A10        1.96607  -0.00119  -0.00725  -0.01898  -0.02641   1.93967
   A11        1.81482   0.00076   0.00172   0.00334   0.00488   1.81970
   A12        1.88865  -0.00051  -0.00174  -0.00519  -0.00688   1.88177
   A13        2.06618  -0.00049  -0.00342  -0.00163  -0.00517   2.06101
   A14        1.87482   0.00188   0.01061   0.01523   0.02582   1.90064
   A15        1.84394  -0.00052   0.00021   0.00774   0.00793   1.85187
   A16        1.90528   0.00024   0.00059  -0.00155  -0.00121   1.90407
   A17        1.93602   0.00004   0.00512  -0.00078   0.00429   1.94031
   A18        1.90315  -0.00042  -0.00296   0.00277  -0.00029   1.90286
   A19        1.94193   0.00040   0.00074   0.00148   0.00238   1.94431
   A20        1.89576  -0.00105  -0.00847  -0.01618  -0.02477   1.87099
   A21        1.88081   0.00074   0.00472   0.01408   0.01880   1.89961
   A22        1.87061   0.00179   0.01335   0.00804   0.02133   1.89194
   A23        1.82108  -0.00120  -0.00085  -0.01016  -0.01119   1.80990
   A24        1.83459  -0.00039  -0.00381   0.00070  -0.00316   1.83143
   A25        1.96288   0.00021   0.00354   0.00581   0.00939   1.97228
   A26        1.95396  -0.00044  -0.00063  -0.00770  -0.00833   1.94563
   A27        2.00532   0.00010  -0.00989   0.00330  -0.00679   1.99853
   A28        1.94114   0.00087   0.00598   0.00168   0.00753   1.94868
   A29        1.90101  -0.00390  -0.02558  -0.02413  -0.04955   1.85146
   A30        1.85178   0.00215   0.01383   0.00493   0.01824   1.87002
   A31        1.81174   0.00151   0.00166   0.01672   0.01795   1.82969
   A32        1.99909  -0.00132   0.00724  -0.01222  -0.00513   1.99397
   A33        1.95920   0.00039  -0.00501   0.01170   0.00705   1.96625
   A34        1.82539  -0.00084  -0.00013   0.00136   0.00093   1.82632
   A35        1.94455   0.00124   0.00443   0.00921   0.01364   1.95820
   A36        1.94436  -0.00005  -0.00035  -0.00195  -0.00224   1.94212
   A37        1.92041  -0.00004  -0.00030   0.00719   0.00677   1.92718
   A38        1.96327   0.00020  -0.00023  -0.01298  -0.01304   1.95023
   A39        1.86736  -0.00046  -0.00317  -0.00244  -0.00563   1.86173
   A40        1.96290  -0.00177  -0.00705  -0.01097  -0.01792   1.94498
   A41        1.93589  -0.00057  -0.00158  -0.00462  -0.00605   1.92984
   A42        1.92893   0.00042  -0.00098   0.00028  -0.00089   1.92804
   A43        1.87491   0.00215   0.01344   0.01680   0.03018   1.90509
   A44        1.88094   0.00034  -0.00312   0.00286  -0.00047   1.88047
   A45        1.87693  -0.00046  -0.00004  -0.00350  -0.00362   1.87330
   A46        1.85294   0.00037   0.00467  -0.00527  -0.00077   1.85217
   A47        1.98554  -0.00236  -0.01287  -0.02086  -0.03359   1.95195
   A48        1.90963  -0.00124  -0.01161  -0.01617  -0.02755   1.88208
   A49        1.95956   0.00162   0.00628   0.00585   0.01189   1.97144
   A50        1.87285   0.00032   0.00749   0.02222   0.02931   1.90216
   A51        1.88015   0.00132   0.00689   0.01576   0.02117   1.90132
   A52        1.92542  -0.00045  -0.01177  -0.01573  -0.02838   1.89705
   A53        1.89179  -0.00294  -0.01238  -0.03536  -0.04838   1.84341
   A54        1.89176   0.00122   0.00960   0.00494   0.01556   1.90732
   A55        1.98662   0.00113   0.00389   0.00443   0.00726   1.99388
   A56        1.90190  -0.00039   0.00127   0.01620   0.01665   1.91855
   A57        1.86337   0.00153   0.01101   0.02700   0.03765   1.90102
   A58        1.88194   0.00019   0.00357  -0.00699  -0.00347   1.87846
   A59        1.97075  -0.00109  -0.01018  -0.00420  -0.01437   1.95638
   A60        1.91471  -0.00025  -0.00416   0.00707   0.00284   1.91755
   A61        1.88658  -0.00012   0.00126  -0.00683  -0.00582   1.88076
   A62        1.94947   0.00047   0.00481   0.00337   0.00820   1.95767
   A63        1.86138   0.00080   0.00487   0.00757   0.01248   1.87386
   A64        1.94859  -0.00046  -0.00555   0.00136  -0.00437   1.94423
   A65        1.91654  -0.00036  -0.00186  -0.00298  -0.00477   1.91177
   A66        1.92340   0.00047   0.00289   0.00333   0.00630   1.92971
   A67        1.90224   0.00044   0.00380   0.00491   0.00877   1.91101
   A68        1.91538   0.00040   0.00388  -0.00167   0.00224   1.91762
   A69        1.85525  -0.00048  -0.00299  -0.00526  -0.00829   1.84697
   A70        1.96825  -0.00008   0.00042   0.00324   0.00360   1.97185
   A71        1.94344   0.00149   0.00270   0.00926   0.01188   1.95532
   A72        1.95024  -0.00212  -0.01187  -0.00761  -0.01949   1.93075
   A73        1.87219  -0.00008   0.00367   0.00194   0.00549   1.87768
   A74        1.86202   0.00129   0.00646   0.00416   0.01063   1.87264
   A75        1.86178  -0.00046  -0.00067  -0.01168  -0.01237   1.84941
   A76        1.92679   0.00083   0.00029   0.00266   0.00305   1.92985
   A77        1.92440  -0.00010   0.00110   0.00043   0.00146   1.92586
   A78        1.90815   0.00019   0.00429  -0.00042   0.00387   1.91202
   A79        1.91217  -0.00020  -0.00226   0.00466   0.00235   1.91452
   A80        1.94310  -0.00045  -0.00095  -0.00197  -0.00298   1.94013
   A81        1.84781  -0.00033  -0.00251  -0.00568  -0.00819   1.83963
   A82        2.01729  -0.00110  -0.00349  -0.00162  -0.00521   2.01208
   A83        2.15543  -0.00088  -0.00246  -0.00630  -0.00893   2.14650
   A84        2.11015   0.00200   0.00612   0.00849   0.01445   2.12460
   A85        2.11950   0.00179   0.00128   0.00878   0.01005   2.12955
   A86        2.11926   0.00072  -0.00874   0.01480   0.00605   2.12531
   A87        2.04438  -0.00251   0.00744  -0.02349  -0.01607   2.02831
   A88        1.93324   0.00049   0.00026   0.00108   0.00130   1.93454
   A89        1.93634   0.00083   0.00388   0.00688   0.01073   1.94707
   A90        1.94699  -0.00030  -0.00060  -0.00339  -0.00403   1.94296
   A91        1.88133  -0.00041  -0.00091   0.00045  -0.00050   1.88083
   A92        1.88139  -0.00090  -0.00425  -0.01088  -0.01517   1.86622
   A93        1.88201   0.00023   0.00145   0.00561   0.00703   1.88904
   A94        1.95710  -0.00064  -0.00484  -0.00317  -0.00808   1.94902
   A95        1.96228  -0.00004  -0.00244   0.00114  -0.00138   1.96090
   A96        1.93746  -0.00016   0.00026   0.00342   0.00368   1.94113
   A97        1.87161  -0.00047  -0.00155  -0.01139  -0.01307   1.85854
   A98        1.87284   0.00067   0.00387   0.00387   0.00776   1.88059
   A99        1.85704   0.00074   0.00552   0.00631   0.01181   1.86884
   A100       2.17846  -0.00116  -0.00457  -0.00694  -0.01158   2.16688
   A101       2.03121  -0.00287  -0.01014  -0.01130  -0.02140   2.00981
   A102       2.07319   0.00403   0.01471   0.01827   0.03301   2.10621
   A103       2.12888   0.00279   0.00480   0.01053   0.01538   2.14426
   A104       2.13278   0.00047   0.00356   0.00373   0.00726   2.14005
   A105       2.02143  -0.00327  -0.00835  -0.01424  -0.02262   1.99882
   A106       1.94132   0.00068   0.00485  -0.00334   0.00142   1.94274
   A107       1.84038  -0.00445  -0.01939  -0.03281  -0.05202   1.78836
   A108       1.89140   0.00303   0.01464   0.01940   0.03416   1.92556
   A109       1.90464   0.00261   0.00456   0.01413   0.01857   1.92321
   A110       1.98140  -0.00269  -0.00599  -0.01003  -0.01619   1.96521
   A111       1.89900   0.00068   0.00017   0.01116   0.01170   1.91070
   A112       2.11320   0.00257   0.00516   0.01004   0.01517   2.12837
   A113       2.12848   0.00151   0.00518   0.00990   0.01508   2.14357
   A114       2.04147  -0.00408  -0.01033  -0.01989  -0.03022   2.01125
   A115       2.12307   0.00287   0.00469   0.01021   0.01486   2.13793
   A116       2.11987   0.00092   0.00312   0.00086   0.00394   2.12381
   A117       2.04025  -0.00379  -0.00780  -0.01107  -0.01881   2.02144
    D1        0.96246  -0.00070   0.00239  -0.04425  -0.04150   0.92096
    D2        2.94879  -0.00064  -0.00713  -0.03710  -0.04432   2.90447
    D3       -1.22188  -0.00107  -0.01888  -0.03347  -0.05262  -1.27450
    D4       -1.83246  -0.00003  -0.00181  -0.00138  -0.00191  -1.83437
    D5        2.26483   0.00087   0.01049   0.02790   0.03723   2.30205
    D6        0.24861  -0.00003  -0.00118   0.01212   0.01084   0.25945
    D7        1.14186  -0.00174  -0.00561  -0.05837  -0.06393   1.07792
    D8       -3.07893  -0.00089  -0.00904  -0.06257  -0.07114   3.13312
    D9       -1.04793  -0.00093  -0.01138  -0.05716  -0.06904  -1.11697
   D10        3.06807  -0.00181  -0.01693  -0.02787  -0.04468   3.02339
   D11        0.80965  -0.00097  -0.00894  -0.01566  -0.02462   0.78503
   D12       -1.14508  -0.00052  -0.00926  -0.02382  -0.03299  -1.17807
   D13       -1.08181  -0.00172  -0.00731  -0.04273  -0.04998  -1.13178
   D14        2.94296  -0.00088   0.00068  -0.03053  -0.02992   2.91304
   D15        0.98823  -0.00044   0.00036  -0.03868  -0.03829   0.94994
   D16        1.03600  -0.00094  -0.01557  -0.01489  -0.03036   1.00564
   D17       -1.22242  -0.00010  -0.00758  -0.00268  -0.01030  -1.23273
   D18        3.10603   0.00034  -0.00790  -0.01083  -0.01867   3.08736
   D19        1.32077  -0.00189  -0.01504   0.00787  -0.00724   1.31353
   D20       -0.72080   0.00142   0.01118   0.02600   0.03732  -0.68347
   D21       -2.86308   0.00065   0.01204   0.00686   0.01884  -2.84424
   D22       -0.69726  -0.00272  -0.02396   0.00914  -0.01460  -0.71186
   D23       -2.73883   0.00059   0.00226   0.02726   0.02997  -2.70887
   D24        1.40207  -0.00018   0.00312   0.00813   0.01148   1.41355
   D25       -2.88286  -0.00186  -0.01438   0.01653   0.00208  -2.88078
   D26        1.35876   0.00145   0.01183   0.03465   0.04664   1.40540
   D27       -0.78352   0.00068   0.01270   0.01552   0.02816  -0.75537
   D28        0.96973   0.00088   0.00376   0.02316   0.02699   0.99672
   D29       -1.13041  -0.00026  -0.00754   0.01241   0.00493  -1.12548
   D30        3.07270   0.00041  -0.00583   0.01956   0.01385   3.08655
   D31        2.90440   0.00064   0.01187   0.02022   0.03196   2.93636
   D32        0.80426  -0.00050   0.00057   0.00947   0.00990   0.81416
   D33       -1.27582   0.00017   0.00228   0.01662   0.01883  -1.25699
   D34       -1.19038  -0.00035   0.00593  -0.00263   0.00328  -1.18710
   D35        2.99266  -0.00149  -0.00537  -0.01337  -0.01878   2.97388
   D36        0.91258  -0.00082  -0.00366  -0.00622  -0.00985   0.90273
   D37        1.18130  -0.00135  -0.00430  -0.03861  -0.04302   1.13828
   D38       -2.99617  -0.00045   0.00264  -0.02715  -0.02456  -3.02073
   D39       -0.91615  -0.00145  -0.00441  -0.04082  -0.04529  -0.96144
   D40       -0.74198  -0.00037  -0.00522  -0.03862  -0.04373  -0.78570
   D41        1.36374   0.00053   0.00172  -0.02716  -0.02527   1.33847
   D42       -2.83942  -0.00047  -0.00533  -0.04083  -0.04600  -2.88542
   D43       -2.99933   0.00023  -0.00483  -0.01664  -0.02158  -3.02092
   D44       -0.89362   0.00113   0.00211  -0.00518  -0.00312  -0.89674
   D45        1.18641   0.00013  -0.00493  -0.01885  -0.02386   1.16255
   D46        1.04546  -0.00007  -0.00042   0.01990   0.01890   1.06436
   D47       -3.09178   0.00062   0.00425   0.02019   0.02393  -3.06786
   D48       -1.02318   0.00130   0.01126   0.03873   0.04956  -0.97363
   D49       -3.11655  -0.00046  -0.00745   0.00635  -0.00133  -3.11788
   D50       -0.97060   0.00024  -0.00278   0.00664   0.00369  -0.96692
   D51        1.09800   0.00091   0.00423   0.02518   0.02932   1.12732
   D52       -1.03265   0.00003  -0.00101   0.02759   0.02660  -1.00605
   D53        1.11330   0.00073   0.00367   0.02788   0.03163   1.14492
   D54       -3.10129   0.00140   0.01068   0.04643   0.05726  -3.04403
   D55       -0.58731   0.00023   0.00191  -0.00318  -0.00117  -0.58847
   D56        1.48672   0.00032   0.00374   0.01091   0.01464   1.50136
   D57       -2.71257   0.00053   0.00246   0.01270   0.01517  -2.69741
   D58       -2.78369   0.00150   0.01260   0.02044   0.03325  -2.75044
   D59       -0.70967   0.00159   0.01442   0.03453   0.04906  -0.66061
   D60        1.37423   0.00181   0.01314   0.03632   0.04959   1.42381
   D61        1.39962  -0.00023   0.00078  -0.00450  -0.00360   1.39601
   D62       -2.80955  -0.00014   0.00260   0.00959   0.01221  -2.79734
   D63       -0.72565   0.00008   0.00132   0.01138   0.01273  -0.71292
   D64        1.09728   0.00065   0.01028   0.00627   0.01652   1.11380
   D65       -0.89417   0.00093   0.00184   0.01068   0.01211  -0.88206
   D66        3.10027   0.00100   0.01315   0.00778   0.02076   3.12104
   D67       -1.04513   0.00016   0.00295   0.00734   0.01035  -1.03478
   D68       -3.03658   0.00044  -0.00549   0.01175   0.00595  -3.03064
   D69        0.95786   0.00051   0.00582   0.00885   0.01459   0.97246
   D70       -3.11266  -0.00033   0.00202  -0.00069   0.00141  -3.11124
   D71        1.17908  -0.00005  -0.00642   0.00372  -0.00299   1.17609
   D72       -1.10967   0.00002   0.00489   0.00082   0.00566  -1.10401
   D73       -3.06959  -0.00082  -0.00547  -0.00586  -0.01112  -3.08071
   D74        1.10170  -0.00082  -0.00530  -0.01092  -0.01607   1.08563
   D75       -0.93631  -0.00029  -0.00227  -0.00471  -0.00684  -0.94315
   D76       -0.94497  -0.00021  -0.00070  -0.00735  -0.00801  -0.95298
   D77       -3.05686  -0.00021  -0.00054  -0.01242  -0.01296  -3.06982
   D78        1.18832   0.00032   0.00249  -0.00621  -0.00374   1.18458
   D79        1.13153  -0.00079  -0.00767  -0.01748  -0.02521   1.10632
   D80       -0.98036  -0.00079  -0.00750  -0.02255  -0.03016  -1.01053
   D81       -3.01837  -0.00026  -0.00447  -0.01634  -0.02093  -3.03931
   D82        2.96503   0.00080   0.00139   0.01821   0.01957   2.98461
   D83       -1.18723  -0.00257  -0.02123  -0.03665  -0.05796  -1.24519
   D84        0.89013  -0.00018  -0.00413   0.01163   0.00765   0.89778
   D85       -1.29667   0.00232   0.01832   0.02464   0.04289  -1.25378
   D86        0.83425  -0.00105  -0.00429  -0.03022  -0.03465   0.79960
   D87        2.91162   0.00134   0.01280   0.01806   0.03096   2.94258
   D88        0.96591   0.00197   0.01159   0.02210   0.03352   0.99943
   D89        3.09683  -0.00139  -0.01102  -0.03276  -0.04401   3.05281
   D90       -1.10899   0.00100   0.00607   0.01552   0.02159  -1.08740
   D91        1.08967   0.00113   0.00706  -0.00077   0.00629   1.09596
   D92       -3.11049   0.00045   0.00485  -0.01645  -0.01167  -3.12216
   D93       -1.03697   0.00059   0.00147  -0.00479  -0.00327  -1.04025
   D94       -0.93529  -0.00055  -0.00627  -0.00690  -0.01303  -0.94832
   D95        1.14773  -0.00123  -0.00849  -0.02258  -0.03098   1.11675
   D96       -3.06193  -0.00109  -0.01187  -0.01092  -0.02259  -3.08452
   D97        3.08094  -0.00052  -0.00159  -0.01097  -0.01251   3.06842
   D98       -1.11922  -0.00121  -0.00381  -0.02666  -0.03047  -1.14969
   D99        0.95429  -0.00107  -0.00719  -0.01500  -0.02207   0.93222
   D100      -1.69044  -0.00073  -0.00509  -0.02738  -0.03250  -1.72294
   D101       0.47333   0.00008  -0.00196  -0.03726  -0.03928   0.43405
   D102       2.57684  -0.00070  -0.01072  -0.04263  -0.05275   2.52408
   D103       0.37898  -0.00075  -0.00952  -0.02793  -0.03780   0.34118
   D104       2.54275   0.00006  -0.00639  -0.03781  -0.04457   2.49818
   D105      -1.63693  -0.00072  -0.01514  -0.04318  -0.05805  -1.69498
   D106       2.54735  -0.00113  -0.00241  -0.02508  -0.02778   2.51957
   D107      -1.57206  -0.00033   0.00072  -0.03496  -0.03455  -1.60662
   D108       0.53144  -0.00110  -0.00803  -0.04033  -0.04803   0.48341
   D109      -2.10738   0.00090   0.00887  -0.05495  -0.04587  -2.15325
   D110       1.02385   0.00081   0.00341  -0.04565  -0.04207   0.98178
   D111       2.02755  -0.00094  -0.01260  -0.05285  -0.06570   1.96185
   D112      -1.12440  -0.00103  -0.01806  -0.04356  -0.06190  -1.18630
   D113      -0.03281  -0.00227  -0.01625  -0.07467  -0.09083  -0.12364
   D114       3.09842  -0.00236  -0.02171  -0.06538  -0.08703   3.01139
   D115       0.12218   0.00076   0.00423   0.02210   0.02625   0.14843
   D116      -2.05769   0.00242   0.01309   0.04824   0.06139  -1.99630
   D117       2.16288  -0.00033  -0.00325   0.01157   0.00817   2.17105
   D118      -1.96812  -0.00021  -0.00076   0.00680   0.00604  -1.96208
   D119       2.13519   0.00145   0.00810   0.03294   0.04118   2.17637
   D120       0.07258  -0.00130  -0.00824  -0.00373  -0.01204   0.06054
   D121       2.23496   0.00027   0.00360   0.01342   0.01701   2.25197
   D122       0.05509   0.00193   0.01246   0.03956   0.05215   0.10724
   D123      -2.00752  -0.00082  -0.00387   0.00289  -0.00108  -2.00859
   D124       1.26686  -0.00116  -0.01775  -0.02398  -0.04134   1.22552
   D125      -0.88252   0.00084   0.00434   0.01961   0.02418  -0.85834
   D126      -2.98171  -0.00041  -0.00683  -0.02189  -0.02910  -3.01082
   D127      -2.88135  -0.00151  -0.01486  -0.02517  -0.03981  -2.92116
   D128       1.25246   0.00048   0.00723   0.01842   0.02571   1.27817
   D129      -0.84673  -0.00077  -0.00395  -0.02308  -0.02757  -0.87431
   D130      -0.86354  -0.00079  -0.00970  -0.01931  -0.02871  -0.89225
   D131      -3.01292   0.00120   0.01239   0.02428   0.03681  -2.97611
   D132       1.17108  -0.00005   0.00121  -0.01722  -0.01647   1.15460
   D133       1.00083  -0.00101  -0.00750   0.00716  -0.00031   1.00052
   D134       3.08952  -0.00066  -0.00595   0.01294   0.00703   3.09654
   D135      -1.09498   0.00000  -0.00189   0.02245   0.02059  -1.07439
   D136       3.10574  -0.00103  -0.00598  -0.01072  -0.01704   3.08869
   D137      -1.08876  -0.00068  -0.00442  -0.00495  -0.00971  -1.09847
   D138       1.00993  -0.00002  -0.00037   0.00457   0.00385   1.01379
   D139      -1.11916   0.00114   0.01079   0.02988   0.04099  -1.07818
   D140       0.96953   0.00149   0.01235   0.03566   0.04832   1.01785
   D141       3.06822   0.00215   0.01640   0.04518   0.06188   3.13010
   D142       0.97609  -0.00005   0.00303   0.00374   0.00667   0.98275
   D143      -2.13853  -0.00055  -0.00318  -0.02047  -0.02351  -2.16204
   D144      -1.15964   0.00123   0.01243   0.01694   0.02925  -1.13040
   D145       2.00893   0.00072   0.00623  -0.00727  -0.00093   2.00800
   D146       3.08106   0.00006   0.00309   0.00998   0.01291   3.09397
   D147      -0.03356  -0.00044  -0.00312  -0.01423  -0.01726  -0.05082
   D148      -0.78811   0.00038  -0.00110   0.00353   0.00230  -0.78581
   D149       1.32246  -0.00073  -0.00849  -0.01274  -0.02130   1.30116
   D150      -2.88273   0.00007  -0.00293  -0.00161  -0.00462  -2.88736
   D151       1.29223  -0.00013  -0.00204  -0.01228  -0.01433   1.27790
   D152      -2.88039  -0.00124  -0.00944  -0.02856  -0.03793  -2.91832
   D153      -0.80239  -0.00044  -0.00387  -0.01743  -0.02126  -0.82365
   D154      -2.89235   0.00080   0.00691  -0.00778  -0.00085  -2.89320
   D155      -0.78178  -0.00031  -0.00048  -0.02406  -0.02445  -0.80623
   D156       1.29622   0.00049   0.00508  -0.01292  -0.00777   1.28844
   D157       2.11774   0.00072   0.00737   0.00992   0.01720   2.13494
   D158      -1.05131   0.00071   0.00773   0.01143   0.01913  -1.03218
   D159       0.03201   0.00034   0.00258   0.01184   0.01440   0.04641
   D160      -3.13704   0.00034   0.00295   0.01336   0.01633  -3.12071
   D161      -2.02564  -0.00025  -0.00441   0.01363   0.00914  -2.01650
   D162       1.08849  -0.00026  -0.00404   0.01514   0.01107   1.09957
   D163       0.93909   0.00027  -0.00102   0.00122   0.00018   0.93927
   D164      -1.17620   0.00004   0.00090  -0.00665  -0.00575  -1.18195
   D165       3.08236   0.00038   0.00083   0.00022   0.00106   3.08342
   D166       3.05929  -0.00019  -0.00437   0.00168  -0.00273   3.05656
   D167       0.94400  -0.00042  -0.00245  -0.00619  -0.00866   0.93533
   D168      -1.08063  -0.00008  -0.00252   0.00068  -0.00185  -1.08247
   D169      -1.19879  -0.00030  -0.00367  -0.00278  -0.00644  -1.20523
   D170       2.96910  -0.00052  -0.00175  -0.01065  -0.01237   2.95673
   D171       0.94447  -0.00018  -0.00182  -0.00378  -0.00555   0.93892
   D172      -0.98993  -0.00002   0.00085  -0.00252  -0.00174  -0.99167
   D173       2.12545   0.00042   0.00668   0.02077   0.02763   2.15308
   D174       1.13262   0.00026   0.00093   0.00279   0.00362   1.13624
   D175      -2.03519   0.00070   0.00675   0.02608   0.03299  -2.00220
   D176      -3.11264  -0.00053  -0.00414  -0.00249  -0.00674  -3.11937
   D177       0.00274  -0.00009   0.00169   0.02080   0.02263   0.02537
   D178       0.00976   0.00031   0.00265   0.01045   0.01302   0.02278
   D179       3.13644   0.00027   0.00341   0.01212   0.01557  -3.13117
   D180      -3.10347  -0.00017  -0.00365  -0.01484  -0.01874  -3.12221
   D181       0.02321  -0.00021  -0.00290  -0.01316  -0.01618   0.00702
   D182       0.49229  -0.00266  -0.02090  -0.06623  -0.08710   0.40519
   D183      -1.53093   0.00080  -0.00286  -0.03286  -0.03566  -1.56659
   D184       2.63098  -0.00014  -0.00238  -0.05064  -0.05305   2.57793
   D185      -2.63894  -0.00258  -0.01543  -0.07548  -0.09092  -2.72986
   D186       1.62102   0.00089   0.00261  -0.04211  -0.03948   1.58154
   D187      -0.50026  -0.00006   0.00308  -0.05989  -0.05687  -0.55713
   D188      -0.00633  -0.00012  -0.00164  -0.00555  -0.00718  -0.01351
   D189       3.12648  -0.00004  -0.00023   0.00152   0.00144   3.12792
   D190      -3.11985  -0.00001  -0.00164  -0.00666  -0.00838  -3.12824
   D191       0.01295   0.00007  -0.00023   0.00041   0.00023   0.01319
   D192      -3.12339  -0.00002   0.00080  -0.00060   0.00027  -3.12312
   D193       0.01888  -0.00012  -0.00156  -0.00284  -0.00443   0.01446
   D194       0.03222   0.00000  -0.00001  -0.00230  -0.00231   0.02991
   D195      -3.10869  -0.00010  -0.00237  -0.00455  -0.00701  -3.11570
   D196       3.12158  -0.00009  -0.00135  -0.00193  -0.00329   3.11829
   D197      -0.02069   0.00001   0.00102   0.00031   0.00137  -0.01932
   D198      -0.01165  -0.00019  -0.00278  -0.00879  -0.01149  -0.02315
   D199       3.12926  -0.00009  -0.00042  -0.00655  -0.00683   3.12243
         Item               Value     Threshold  Converged?
 Maximum Force            0.019701     0.000450     NO 
 RMS     Force            0.001857     0.000300     NO 
 Maximum Displacement     0.681154     0.001800     NO 
 RMS     Displacement     0.077240     0.001200     NO 
 Predicted change in Energy=-4.992472D-03
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C22H29FO5
 Framework group  C1[X(C22H29FO5)]
 Deg. of freedom   165
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          9           0        1.534067   -0.012749   -1.389155
      2          8           0       -2.998887    0.405869   -1.787332
      3          8           0        0.346385   -2.066106    1.287180
      4          8           0       -5.075821    0.023679    0.812965
      5          8           0       -5.678682   -2.319992   -0.464893
      6          8           0        6.432119   -0.167507   -1.497096
      7          6           0       -1.640814   -0.136649    0.215904
      8          6           0       -0.750706    1.117613   -0.032904
      9          6           0        0.634592    0.945263    0.596646
     10          6           0        1.338192   -0.280042   -0.050393
     11          6           0       -3.001394    0.387517   -0.357913
     12          6           0       -1.619150    2.298470    0.438083
     13          6           0       -1.009603   -1.328045   -0.516574
     14          6           0       -3.076944    1.876998    0.092656
     15          6           0        0.443816   -1.567851   -0.055834
     16          6           0        2.782221   -0.491026    0.536304
     17          6           0        1.477715    2.222704    0.442556
     18          6           0       -1.833417   -0.483082    1.692774
     19          6           0        2.897189    2.027181    0.995189
     20          6           0        3.546376    0.823599    0.370121
     21          6           0       -4.236054   -0.432644    0.085496
     22          6           0       -3.713316    2.758894   -0.971917
     23          6           0        2.753278   -0.831082    2.038665
     24          6           0        3.465208   -1.644628   -0.176314
     25          6           0        4.715743    0.911268   -0.281195
     26          6           0       -4.332948   -1.857330   -0.462273
     27          6           0        4.627503   -1.541786   -0.826571
     28          6           0        5.364079   -0.250533   -0.925169
     29          1           0       -0.632698    1.241090   -1.146038
     30          1           0        0.514605    0.720494    1.687203
     31          1           0       -1.518530    2.483913    1.520229
     32          1           0       -1.333500    3.231721   -0.069967
     33          1           0       -1.021022   -1.161831   -1.613300
     34          1           0       -1.583683   -2.253275   -0.317260
     35          1           0       -3.699786    1.922961    1.022845
     36          1           0        0.907072   -2.351573   -0.708400
     37          1           0        0.985056    3.058224    0.976752
     38          1           0        1.526647    2.531139   -0.621550
     39          1           0       -2.390472    0.283713    2.242960
     40          1           0       -2.359949   -1.434521    1.826447
     41          1           0       -0.860403   -0.602731    2.192977
     42          1           0        2.868583    1.906157    2.098809
     43          1           0        3.495554    2.944132    0.814646
     44          1           0       -4.718212    2.399463   -1.227069
     45          1           0       -3.805584    3.796277   -0.632754
     46          1           0       -3.126162    2.751700   -1.899571
     47          1           0        2.063640   -0.178201    2.588744
     48          1           0        2.424578   -1.860068    2.227032
     49          1           0        3.749542   -0.722652    2.490389
     50          1           0       -2.740172   -0.463782   -2.144281
     51          1           0        2.948982   -2.604338   -0.106345
     52          1           0        0.900403   -2.862081    1.406360
     53          1           0        5.259971    1.849780   -0.387883
     54          1           0       -3.836073   -2.569098    0.230654
     55          1           0       -3.890899   -1.955680   -1.471338
     56          1           0        5.105016   -2.388239   -1.320763
     57          1           0       -6.229428   -1.754341   -1.047742
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.4231945      0.1034690      0.0949838
 Standard basis: VSTO-6G (5D, 7F)
 There are   141 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   141 basis functions,   846 primitive gaussians,   141 cartesian basis functions
    77 alpha electrons       77 beta electrons
       nuclear repulsion energy      1662.0378807594 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   141 RedAO= F  NBF=   141
 NBsUse=   141 1.00D-04 NBFU=   141
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=982442.
 SCF Done:  E(RPM6) = -0.405336505042     A.U. after   14 cycles
             Convg  =    0.4520D-08             -V/T =  0.9988
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        9          -0.000025129    0.000347372   -0.000315994
      2        8          -0.002197586    0.000101905    0.001511731
      3        8           0.000715232    0.002587228   -0.000949159
      4        8          -0.003239033   -0.002127155   -0.002297229
      5        8           0.001741371    0.001803541    0.001365789
      6        8          -0.000656102    0.000440207   -0.000204734
      7        6          -0.001217465   -0.000754170   -0.000576417
      8        6          -0.000175708   -0.002229716    0.000242138
      9        6           0.000805198   -0.001619560    0.001443150
     10        6           0.000114809    0.001126490    0.000668918
     11        6           0.000497240    0.004456588    0.000257807
     12        6          -0.001336660    0.002155732   -0.000103063
     13        6           0.002424940    0.000634496    0.000996908
     14        6           0.000586757   -0.004917463   -0.002135838
     15        6           0.000617911   -0.000120447    0.003429632
     16        6           0.000850952    0.001367834   -0.000359437
     17        6           0.000949165    0.001087283   -0.001443937
     18        6          -0.002425291   -0.001080268   -0.001350001
     19        6          -0.001083437    0.000269769    0.001220323
     20        6           0.000167576   -0.001516196   -0.000071391
     21        6           0.001984437    0.000693278    0.000781054
     22        6          -0.000412244   -0.001451132   -0.001017674
     23        6           0.001323892    0.000201381    0.000259510
     24        6           0.001030630    0.000454797    0.000499921
     25        6          -0.001481370    0.001290095   -0.001008370
     26        6          -0.000057090    0.000157217    0.000764677
     27        6          -0.002794284    0.000024289   -0.001652584
     28        6           0.001876398   -0.000868549    0.000697035
     29        1           0.000127357    0.000240266   -0.001106032
     30        1           0.000315963    0.000601605   -0.001021376
     31        1           0.000518957    0.000096796    0.000510787
     32        1           0.000006132   -0.000650917    0.000087480
     33        1          -0.000195247    0.000218814   -0.000231363
     34        1          -0.000026695    0.000449863    0.000450126
     35        1          -0.000288718   -0.000299560    0.000453227
     36        1          -0.000584216   -0.001746712   -0.001940911
     37        1           0.000086634   -0.000165791    0.000313586
     38        1           0.000069041   -0.000087034   -0.000300096
     39        1           0.000417622   -0.000011515    0.000146847
     40        1           0.000267187   -0.000076919   -0.000427353
     41        1           0.000545931    0.000289095   -0.001593219
     42        1           0.000295125   -0.000447081    0.000164456
     43        1          -0.000085842   -0.000010549   -0.000113081
     44        1          -0.000179240   -0.000231265    0.000463308
     45        1           0.000123006    0.000314150    0.000203697
     46        1          -0.000107261    0.000114756    0.000816935
     47        1          -0.000338491   -0.000068116   -0.000163155
     48        1          -0.000360925   -0.000169882    0.000224143
     49        1          -0.000502380    0.000137966    0.000752496
     50        1           0.001732905    0.002154237    0.002483918
     51        1          -0.000074551   -0.000765250   -0.000019336
     52        1           0.000645732   -0.000344904   -0.000075118
     53        1           0.000242806   -0.000384828    0.000214640
     54        1           0.001174798    0.000069577   -0.000438681
     55        1          -0.001274448   -0.000134907   -0.000222956
     56        1           0.000518520   -0.000096005    0.000280822
     57        1          -0.001654815   -0.001510734   -0.000566555
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.004917463 RMS     0.001159462

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.005475370 RMS     0.000782075
 Search for a local minimum.
 Step number   3 out of a maximum of  342
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Update second derivatives using D2CorX and points    2    3
 DE= -4.72D-03 DEPred=-4.99D-03 R= 9.46D-01
 SS=  1.41D+00  RLast= 4.80D-01 DXNew= 8.4853D-01 1.4389D+00
 Trust test= 9.46D-01 RLast= 4.80D-01 DXMaxT set to 8.49D-01
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.00230   0.00232   0.00289   0.00404   0.00423
     Eigenvalues ---    0.00476   0.00542   0.00554   0.00564   0.00670
     Eigenvalues ---    0.00705   0.00728   0.01088   0.01267   0.01316
     Eigenvalues ---    0.01354   0.01433   0.01469   0.01492   0.01605
     Eigenvalues ---    0.01701   0.01753   0.02088   0.02227   0.02315
     Eigenvalues ---    0.02388   0.03020   0.03164   0.03683   0.03769
     Eigenvalues ---    0.03914   0.04036   0.04258   0.04362   0.04524
     Eigenvalues ---    0.04644   0.04742   0.04898   0.04943   0.04984
     Eigenvalues ---    0.05109   0.05157   0.05250   0.05317   0.05324
     Eigenvalues ---    0.05427   0.05450   0.05461   0.05567   0.05667
     Eigenvalues ---    0.05821   0.05954   0.06084   0.06224   0.06548
     Eigenvalues ---    0.06625   0.06884   0.07053   0.07161   0.07246
     Eigenvalues ---    0.07262   0.07604   0.08048   0.08056   0.08153
     Eigenvalues ---    0.08247   0.08317   0.09109   0.09142   0.10622
     Eigenvalues ---    0.11116   0.11682   0.11889   0.12736   0.13325
     Eigenvalues ---    0.13630   0.14536   0.14981   0.15197   0.15655
     Eigenvalues ---    0.15994   0.15999   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16093   0.16193   0.16419
     Eigenvalues ---    0.16499   0.17890   0.18735   0.19195   0.20554
     Eigenvalues ---    0.21447   0.22044   0.22485   0.23046   0.24511
     Eigenvalues ---    0.24897   0.24922   0.25000   0.25257   0.25716
     Eigenvalues ---    0.26544   0.26613   0.26776   0.27432   0.27769
     Eigenvalues ---    0.28089   0.28232   0.28468   0.28542   0.29182
     Eigenvalues ---    0.29255   0.29706   0.30044   0.30507   0.31224
     Eigenvalues ---    0.32760   0.33486   0.33855   0.33878   0.33897
     Eigenvalues ---    0.33986   0.34050   0.34068   0.34091   0.34114
     Eigenvalues ---    0.34175   0.34210   0.34229   0.34238   0.34246
     Eigenvalues ---    0.34274   0.34288   0.34293   0.34353   0.34355
     Eigenvalues ---    0.34367   0.34500   0.34574   0.34638   0.35002
     Eigenvalues ---    0.35084   0.35403   0.35530   0.37247   0.42410
     Eigenvalues ---    0.42800   0.46957   0.47918   0.52706   0.52927
     Eigenvalues ---    0.53498   0.53962   0.57947   0.89780   0.92440
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.00000
 RFO step:  Lambda=-2.39878199D-03 EMin= 2.29853266D-03
 Quartic linear search produced a step of  0.00582.
 Iteration  1 RMS(Cart)=  0.05814804 RMS(Int)=  0.00295878
 Iteration  2 RMS(Cart)=  0.00369550 RMS(Int)=  0.00005060
 Iteration  3 RMS(Cart)=  0.00001561 RMS(Int)=  0.00004857
 Iteration  4 RMS(Cart)=  0.00000000 RMS(Int)=  0.00004857
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.60624  -0.00037  -0.00004  -0.00196  -0.00200   2.60424
    R2        2.70144   0.00402  -0.00003   0.00846   0.00844   2.70987
    R3        1.84250   0.00326   0.00005   0.00754   0.00759   1.85009
    R4        2.71321   0.00159   0.00007   0.00585   0.00592   2.71913
    R5        1.84644   0.00010   0.00002   0.00090   0.00092   1.84736
    R6        2.26976   0.00447  -0.00018  -0.00097  -0.00114   2.26861
    R7        2.68917   0.00002  -0.00001  -0.00028  -0.00029   2.68888
    R8        1.85443   0.00142   0.00004   0.00408   0.00413   1.85856
    R9        2.29483  -0.00070  -0.00008  -0.00321  -0.00328   2.29155
   R10        2.94420   0.00123   0.00002   0.00561   0.00561   2.94980
   R11        2.96102   0.00216  -0.00010   0.00729   0.00718   2.96820
   R12        2.89959   0.00364  -0.00005   0.01319   0.01313   2.91272
   R13        2.88965   0.00311  -0.00009   0.00804   0.00795   2.89760
   R14        2.89387   0.00177  -0.00007   0.00242   0.00238   2.89625
   R15        2.90947  -0.00005   0.00002  -0.00250  -0.00247   2.90700
   R16        2.12814  -0.00110   0.00012   0.00071   0.00083   2.12896
   R17        2.93674   0.00136  -0.00008  -0.00022  -0.00035   2.93638
   R18        2.90702  -0.00040  -0.00004  -0.00282  -0.00286   2.90416
   R19        2.11635   0.00107   0.00016   0.00821   0.00837   2.12472
   R20        2.96295  -0.00072   0.00010  -0.00014  -0.00006   2.96289
   R21        2.97231  -0.00006   0.00008   0.00253   0.00260   2.97491
   R22        2.94414   0.00548  -0.00002   0.02155   0.02154   2.96568
   R23        2.92368   0.00068   0.00012   0.00620   0.00632   2.93000
   R24        2.94101  -0.00033  -0.00005  -0.00417  -0.00419   2.93682
   R25        2.08346  -0.00048   0.00002  -0.00054  -0.00052   2.08295
   R26        2.07927   0.00059   0.00002   0.00240   0.00242   2.08169
   R27        2.91668   0.00064  -0.00005   0.00210   0.00202   2.91871
   R28        2.09629  -0.00026   0.00007   0.00166   0.00173   2.09802
   R29        2.09184   0.00030   0.00008   0.00347   0.00355   2.09539
   R30        2.87588   0.00127  -0.00004   0.00271   0.00266   2.87854
   R31        2.11725  -0.00019   0.00013   0.00367   0.00380   2.12105
   R32        2.11672  -0.00258   0.00011  -0.00358  -0.00347   2.11325
   R33        2.89059   0.00047   0.00000   0.00152   0.00150   2.89209
   R34        2.91138  -0.00104   0.00004  -0.00254  -0.00250   2.90888
   R35        2.86908  -0.00092   0.00002  -0.00257  -0.00257   2.86652
   R36        2.90215  -0.00121   0.00002  -0.00352  -0.00349   2.89866
   R37        2.09254  -0.00006   0.00006   0.00171   0.00177   2.09431
   R38        2.09568  -0.00026   0.00005   0.00094   0.00099   2.09667
   R39        2.07094  -0.00028   0.00001  -0.00047  -0.00046   2.07048
   R40        2.07038  -0.00013   0.00001  -0.00018  -0.00017   2.07021
   R41        2.07979   0.00125   0.00007   0.00580   0.00587   2.08567
   R42        2.84136  -0.00030  -0.00003  -0.00181  -0.00177   2.83959
   R43        2.09874  -0.00021   0.00008   0.00207   0.00215   2.10089
   R44        2.09703  -0.00006   0.00007   0.00209   0.00215   2.09918
   R45        2.53485  -0.00091  -0.00002  -0.00204  -0.00206   2.53279
   R46        2.89021   0.00067   0.00001   0.00269   0.00270   2.89292
   R47        2.07363   0.00019   0.00002   0.00107   0.00109   2.07472
   R48        2.06984  -0.00037   0.00000  -0.00117  -0.00117   2.06867
   R49        2.07470   0.00063   0.00002   0.00241   0.00243   2.07712
   R50        2.07392   0.00034   0.00003   0.00190   0.00192   2.07584
   R51        2.07211  -0.00010   0.00002   0.00025   0.00026   2.07237
   R52        2.07728  -0.00078   0.00001  -0.00207  -0.00207   2.07522
   R53        2.52428  -0.00193  -0.00003  -0.00436  -0.00439   2.51989
   R54        2.06355  -0.00064   0.00002  -0.00111  -0.00109   2.06246
   R55        2.79323   0.00005   0.00001   0.00075   0.00078   2.79401
   R56        2.06004   0.00048   0.00003   0.00242   0.00245   2.06249
   R57        2.09891   0.00085   0.00010   0.00560   0.00570   2.10461
   R58        2.09009  -0.00074   0.00008   0.00069   0.00077   2.09085
   R59        2.81537   0.00040   0.00009   0.00403   0.00413   2.81951
   R60        2.06034   0.00028   0.00004   0.00197   0.00200   2.06235
    A1        1.93380   0.00271  -0.00013   0.01227   0.01214   1.94594
    A2        1.93726  -0.00025   0.00011   0.00230   0.00241   1.93967
    A3        1.92242   0.00111   0.00003   0.00802   0.00805   1.93048
    A4        1.73990   0.00077   0.00002   0.00235   0.00237   1.74226
    A5        1.89002  -0.00108   0.00004  -0.00331  -0.00340   1.88662
    A6        1.99170  -0.00047   0.00008  -0.00229  -0.00222   1.98948
    A7        2.02877  -0.00014  -0.00005  -0.00427  -0.00422   2.02455
    A8        1.89664  -0.00094  -0.00011  -0.01217  -0.01231   1.88433
    A9        1.91448   0.00170   0.00003   0.01769   0.01776   1.93224
   A10        1.93967   0.00007  -0.00015  -0.00334  -0.00361   1.93606
   A11        1.81970  -0.00053   0.00003   0.00037   0.00041   1.82011
   A12        1.88177   0.00024  -0.00004  -0.00135  -0.00139   1.88038
   A13        2.06101   0.00080  -0.00003   0.00470   0.00477   2.06579
   A14        1.90064  -0.00079   0.00015  -0.00079  -0.00065   1.89999
   A15        1.85187   0.00022   0.00005   0.00014   0.00016   1.85203
   A16        1.90407  -0.00026  -0.00001  -0.00210  -0.00219   1.90188
   A17        1.94031   0.00022   0.00002   0.00178   0.00188   1.94219
   A18        1.90286   0.00035   0.00000   0.00447   0.00444   1.90730
   A19        1.94431  -0.00022   0.00001  -0.00097  -0.00095   1.94336
   A20        1.87099   0.00007  -0.00014  -0.00731  -0.00746   1.86353
   A21        1.89961  -0.00015   0.00011   0.00397   0.00407   1.90368
   A22        1.89194  -0.00034   0.00012   0.00397   0.00413   1.89607
   A23        1.80990  -0.00014  -0.00007  -0.00413  -0.00419   1.80570
   A24        1.83143   0.00026  -0.00002  -0.00078  -0.00085   1.83058
   A25        1.97228   0.00095   0.00005   0.00593   0.00579   1.97807
   A26        1.94563  -0.00002  -0.00005   0.00059   0.00057   1.94620
   A27        1.99853  -0.00077  -0.00004  -0.00586  -0.00575   1.99278
   A28        1.94868   0.00058   0.00004   0.00918   0.00926   1.95794
   A29        1.85146   0.00064  -0.00029  -0.00190  -0.00219   1.84927
   A30        1.87002  -0.00058   0.00011   0.00293   0.00301   1.87303
   A31        1.82969  -0.00133   0.00010  -0.00108  -0.00107   1.82862
   A32        1.99397   0.00048  -0.00003  -0.00364  -0.00368   1.99028
   A33        1.96625   0.00026   0.00004  -0.00537  -0.00528   1.96097
   A34        1.82632   0.00182   0.00001   0.00365   0.00352   1.82984
   A35        1.95820  -0.00099   0.00008   0.00016   0.00023   1.95843
   A36        1.94212  -0.00021  -0.00001  -0.00090  -0.00087   1.94125
   A37        1.92718  -0.00013   0.00004   0.00656   0.00663   1.93381
   A38        1.95023  -0.00074  -0.00008  -0.00585  -0.00589   1.94434
   A39        1.86173   0.00021  -0.00003  -0.00350  -0.00354   1.85819
   A40        1.94498   0.00114  -0.00010   0.01671   0.01622   1.96121
   A41        1.92984  -0.00071  -0.00004  -0.01199  -0.01195   1.91789
   A42        1.92804   0.00028  -0.00001   0.00488   0.00490   1.93294
   A43        1.90509  -0.00038   0.00018  -0.00323  -0.00291   1.90218
   A44        1.88047  -0.00034   0.00000   0.00070   0.00070   1.88117
   A45        1.87330  -0.00004  -0.00002  -0.00771  -0.00779   1.86551
   A46        1.85217  -0.00080   0.00000  -0.00098  -0.00105   1.85112
   A47        1.95195   0.00096  -0.00020   0.00123   0.00106   1.95300
   A48        1.88208   0.00011  -0.00016  -0.00541  -0.00555   1.87653
   A49        1.97144   0.00001   0.00007   0.00147   0.00155   1.97299
   A50        1.90216   0.00024   0.00017   0.00453   0.00472   1.90689
   A51        1.90132  -0.00051   0.00012  -0.00104  -0.00095   1.90036
   A52        1.89705   0.00014  -0.00017  -0.00096  -0.00112   1.89592
   A53        1.84341   0.00107  -0.00028   0.00398   0.00380   1.84720
   A54        1.90732  -0.00103   0.00009  -0.01280  -0.01279   1.89452
   A55        1.99388  -0.00058   0.00004   0.00734   0.00704   2.00092
   A56        1.91855  -0.00015   0.00010  -0.00601  -0.00586   1.91269
   A57        1.90102   0.00055   0.00022   0.00778   0.00811   1.90913
   A58        1.87846  -0.00041  -0.00002   0.00027   0.00024   1.87870
   A59        1.95638   0.00029  -0.00008  -0.00196  -0.00204   1.95434
   A60        1.91755   0.00001   0.00002  -0.00150  -0.00149   1.91606
   A61        1.88076   0.00017  -0.00003   0.00055   0.00050   1.88126
   A62        1.95767   0.00042   0.00005   0.00401   0.00407   1.96174
   A63        1.87386  -0.00045   0.00007  -0.00129  -0.00121   1.87265
   A64        1.94423   0.00047  -0.00003   0.00360   0.00355   1.94778
   A65        1.91177   0.00003  -0.00003   0.00125   0.00122   1.91299
   A66        1.92971  -0.00010   0.00004  -0.00031  -0.00027   1.92943
   A67        1.91101  -0.00008   0.00005   0.00230   0.00237   1.91339
   A68        1.91762  -0.00029   0.00001  -0.00276  -0.00277   1.91485
   A69        1.84697  -0.00005  -0.00005  -0.00444  -0.00449   1.84248
   A70        1.97185  -0.00056   0.00002  -0.00342  -0.00339   1.96846
   A71        1.95532   0.00046   0.00007   0.00544   0.00551   1.96083
   A72        1.93075   0.00158  -0.00011   0.00590   0.00578   1.93653
   A73        1.87768   0.00000   0.00003   0.00062   0.00065   1.87833
   A74        1.87264  -0.00067   0.00006  -0.00280  -0.00273   1.86992
   A75        1.84941  -0.00091  -0.00007  -0.00638  -0.00647   1.84294
   A76        1.92985   0.00001   0.00002   0.00322   0.00324   1.93308
   A77        1.92586   0.00004   0.00001   0.00110   0.00110   1.92695
   A78        1.91202   0.00002   0.00002  -0.00026  -0.00024   1.91178
   A79        1.91452   0.00009   0.00001   0.00146   0.00147   1.91599
   A80        1.94013   0.00002  -0.00002  -0.00095  -0.00096   1.93916
   A81        1.83963  -0.00019  -0.00005  -0.00493  -0.00498   1.83465
   A82        2.01208   0.00052  -0.00003   0.00222   0.00215   2.01423
   A83        2.14650  -0.00062  -0.00005  -0.00485  -0.00493   2.14157
   A84        2.12460   0.00010   0.00008   0.00261   0.00274   2.12735
   A85        2.12955   0.00054   0.00006   0.00391   0.00385   2.13340
   A86        2.12531   0.00120   0.00004   0.00556   0.00547   2.13077
   A87        2.02831  -0.00174  -0.00009  -0.00964  -0.00986   2.01845
   A88        1.93454   0.00061   0.00001   0.00375   0.00376   1.93830
   A89        1.94707  -0.00007   0.00006   0.00202   0.00208   1.94915
   A90        1.94296   0.00037  -0.00002   0.00121   0.00118   1.94415
   A91        1.88083  -0.00023   0.00000  -0.00098  -0.00099   1.87984
   A92        1.86622  -0.00060  -0.00009  -0.00722  -0.00731   1.85891
   A93        1.88904  -0.00014   0.00004   0.00072   0.00076   1.88980
   A94        1.94902   0.00020  -0.00005  -0.00036  -0.00042   1.94860
   A95        1.96090  -0.00027  -0.00001  -0.00252  -0.00254   1.95836
   A96        1.94113  -0.00053   0.00002  -0.00197  -0.00195   1.93919
   A97        1.85854  -0.00007  -0.00008  -0.00385  -0.00393   1.85460
   A98        1.88059   0.00030   0.00005   0.00440   0.00445   1.88504
   A99        1.86884   0.00042   0.00007   0.00471   0.00478   1.87362
   A100       2.16688  -0.00010  -0.00007  -0.00359  -0.00370   2.16318
   A101       2.00981  -0.00036  -0.00012  -0.00592  -0.00602   2.00379
   A102       2.10621   0.00046   0.00019   0.00951   0.00973   2.11593
   A103       2.14426   0.00036   0.00009   0.00477   0.00485   2.14911
   A104       2.14005  -0.00008   0.00004   0.00108   0.00112   2.14117
   A105       1.99882  -0.00028  -0.00013  -0.00588  -0.00600   1.99281
   A106       1.94274   0.00077   0.00001   0.00341   0.00341   1.94615
   A107       1.78836   0.00018  -0.00030  -0.00496  -0.00528   1.78309
   A108       1.92556  -0.00059   0.00020   0.00050   0.00070   1.92626
   A109       1.92321   0.00003   0.00011   0.00629   0.00640   1.92961
   A110       1.96521  -0.00055  -0.00009  -0.00851  -0.00860   1.95661
   A111       1.91070   0.00023   0.00007   0.00389   0.00397   1.91467
   A112       2.12837   0.00051   0.00009   0.00466   0.00474   2.13311
   A113       2.14357   0.00029   0.00009   0.00526   0.00535   2.14892
   A114       2.01125  -0.00080  -0.00018  -0.00992  -0.01009   2.00115
   A115       2.13793   0.00075   0.00009   0.00565   0.00573   2.14366
   A116       2.12381  -0.00019   0.00002  -0.00004  -0.00003   2.12378
   A117       2.02144  -0.00056  -0.00011  -0.00559  -0.00570   2.01574
    D1        0.92096  -0.00008  -0.00024  -0.04262  -0.04280   0.87816
    D2        2.90447  -0.00100  -0.00026  -0.04047  -0.04077   2.86370
    D3       -1.27450  -0.00066  -0.00031  -0.04622  -0.04653  -1.32103
    D4       -1.83437   0.00065  -0.00001   0.03532   0.03514  -1.79923
    D5        2.30205   0.00065   0.00022   0.02477   0.02513   2.32718
    D6        0.25945  -0.00006   0.00006   0.01986   0.01996   0.27941
    D7        1.07792  -0.00136  -0.00037  -0.07180  -0.07217   1.00576
    D8        3.13312  -0.00087  -0.00041  -0.06568  -0.06610   3.06702
    D9       -1.11697  -0.00077  -0.00040  -0.06360  -0.06400  -1.18097
   D10        3.02339   0.00087  -0.00026   0.00313   0.00288   3.02627
   D11        0.78503   0.00020  -0.00014  -0.00086  -0.00107   0.78396
   D12       -1.17807   0.00010  -0.00019  -0.00063  -0.00087  -1.17894
   D13       -1.13178   0.00065  -0.00029  -0.00187  -0.00209  -1.13388
   D14        2.91304  -0.00002  -0.00017  -0.00586  -0.00604   2.90700
   D15        0.94994  -0.00012  -0.00022  -0.00564  -0.00584   0.94410
   D16        1.00564   0.00171  -0.00018   0.01690   0.01676   1.02240
   D17       -1.23273   0.00105  -0.00006   0.01292   0.01282  -1.21991
   D18        3.08736   0.00095  -0.00011   0.01314   0.01301   3.10038
   D19        1.31353   0.00030  -0.00004   0.01758   0.01751   1.33104
   D20       -0.68347   0.00001   0.00022   0.01608   0.01631  -0.66717
   D21       -2.84424   0.00034   0.00011   0.02588   0.02596  -2.81828
   D22       -0.71186   0.00116  -0.00009   0.02190   0.02189  -0.68997
   D23       -2.70887   0.00087   0.00017   0.02040   0.02069  -2.68818
   D24        1.41355   0.00120   0.00007   0.03019   0.03034   1.44389
   D25       -2.88078  -0.00023   0.00001   0.01141   0.01141  -2.86938
   D26        1.40540  -0.00052   0.00027   0.00991   0.01020   1.41560
   D27       -0.75537  -0.00019   0.00016   0.01971   0.01986  -0.73551
   D28        0.99672  -0.00045   0.00016  -0.02851  -0.02845   0.96826
   D29       -1.12548  -0.00025   0.00003  -0.02750  -0.02742  -1.15291
   D30        3.08655   0.00006   0.00008  -0.01345  -0.01337   3.07318
   D31        2.93636  -0.00028   0.00019  -0.03010  -0.03003   2.90633
   D32        0.81416  -0.00008   0.00006  -0.02909  -0.02900   0.78516
   D33       -1.25699   0.00023   0.00011  -0.01504  -0.01494  -1.27193
   D34       -1.18710  -0.00025   0.00002  -0.03504  -0.03512  -1.22222
   D35        2.97388  -0.00005  -0.00011  -0.03403  -0.03409   2.93979
   D36        0.90273   0.00026  -0.00006  -0.01998  -0.02003   0.88270
   D37        1.13828   0.00016  -0.00025  -0.01333  -0.01355   1.12473
   D38       -3.02073   0.00009  -0.00014  -0.01097  -0.01108  -3.03181
   D39       -0.96144   0.00028  -0.00026  -0.01160  -0.01183  -0.97326
   D40       -0.78570   0.00004  -0.00025  -0.00766  -0.00793  -0.79363
   D41        1.33847  -0.00003  -0.00015  -0.00530  -0.00546   1.33301
   D42       -2.88542   0.00016  -0.00027  -0.00593  -0.00620  -2.89163
   D43       -3.02092  -0.00030  -0.00013  -0.00601  -0.00617  -3.02709
   D44       -0.89674  -0.00038  -0.00002  -0.00365  -0.00370  -0.90044
   D45        1.16255  -0.00018  -0.00014  -0.00428  -0.00444   1.15810
   D46        1.06436   0.00034   0.00011   0.02157   0.02159   1.08595
   D47       -3.06786   0.00002   0.00014   0.02008   0.02014  -3.04772
   D48       -0.97363   0.00021   0.00029   0.02900   0.02927  -0.94435
   D49       -3.11788   0.00028  -0.00001   0.02282   0.02273  -3.09516
   D50       -0.96692  -0.00004   0.00002   0.02133   0.02127  -0.94565
   D51        1.12732   0.00015   0.00017   0.03024   0.03040   1.15772
   D52       -1.00605   0.00049   0.00015   0.02574   0.02586  -0.98019
   D53        1.14492   0.00017   0.00018   0.02425   0.02440   1.16932
   D54       -3.04403   0.00036   0.00033   0.03316   0.03353  -3.01050
   D55       -0.58847  -0.00010  -0.00001  -0.01286  -0.01289  -0.60136
   D56        1.50136   0.00034   0.00009  -0.00261  -0.00256   1.49880
   D57       -2.69741  -0.00020   0.00009  -0.00758  -0.00750  -2.70491
   D58       -2.75044  -0.00029   0.00019  -0.01188  -0.01165  -2.76209
   D59       -0.66061   0.00015   0.00029  -0.00164  -0.00133  -0.66194
   D60        1.42381  -0.00040   0.00029  -0.00661  -0.00627   1.41754
   D61        1.39601   0.00003  -0.00002  -0.01415  -0.01419   1.38182
   D62       -2.79734   0.00047   0.00007  -0.00391  -0.00387  -2.80121
   D63       -0.71292  -0.00008   0.00007  -0.00888  -0.00881  -0.72173
   D64        1.11380  -0.00028   0.00010  -0.00123  -0.00108   1.11272
   D65       -0.88206  -0.00043   0.00007  -0.00194  -0.00177  -0.88383
   D66        3.12104  -0.00018   0.00012   0.00049   0.00065   3.12169
   D67       -1.03478  -0.00023   0.00006  -0.00137  -0.00131  -1.03609
   D68       -3.03064  -0.00038   0.00003  -0.00208  -0.00200  -3.03264
   D69        0.97246  -0.00013   0.00008   0.00035   0.00042   0.97288
   D70       -3.11124   0.00003   0.00001  -0.00111  -0.00111  -3.11235
   D71        1.17609  -0.00012  -0.00002  -0.00182  -0.00180   1.17429
   D72       -1.10401   0.00014   0.00003   0.00061   0.00063  -1.10338
   D73       -3.08071   0.00041  -0.00006   0.00400   0.00401  -3.07670
   D74        1.08563   0.00019  -0.00009  -0.00209  -0.00214   1.08349
   D75       -0.94315   0.00029  -0.00004   0.00274   0.00275  -0.94040
   D76       -0.95298   0.00007  -0.00005   0.00188   0.00186  -0.95112
   D77       -3.06982  -0.00015  -0.00008  -0.00421  -0.00429  -3.07412
   D78        1.18458  -0.00005  -0.00002   0.00063   0.00060   1.18518
   D79        1.10632  -0.00007  -0.00015  -0.00520  -0.00533   1.10099
   D80       -1.01053  -0.00029  -0.00018  -0.01129  -0.01148  -1.02201
   D81       -3.03931  -0.00019  -0.00012  -0.00645  -0.00659  -3.04590
   D82        2.98461  -0.00117   0.00011  -0.04727  -0.04708   2.93753
   D83       -1.24519  -0.00010  -0.00034  -0.03839  -0.03868  -1.28388
   D84        0.89778   0.00009   0.00004  -0.02751  -0.02746   0.87032
   D85       -1.25378  -0.00120   0.00025  -0.04211  -0.04184  -1.29562
   D86        0.79960  -0.00012  -0.00020  -0.03323  -0.03344   0.76616
   D87        2.94258   0.00006   0.00018  -0.02235  -0.02221   2.92036
   D88        0.99943  -0.00104   0.00020  -0.04111  -0.04091   0.95852
   D89        3.05281   0.00004  -0.00026  -0.03222  -0.03252   3.02030
   D90       -1.08740   0.00022   0.00013  -0.02135  -0.02129  -1.10869
   D91        1.09596   0.00007   0.00004   0.00581   0.00587   1.10183
   D92       -3.12216   0.00018  -0.00007   0.00552   0.00545  -3.11671
   D93       -1.04025  -0.00019  -0.00002   0.00164   0.00164  -1.03861
   D94       -0.94832   0.00034  -0.00008   0.00126   0.00117  -0.94715
   D95        1.11675   0.00045  -0.00018   0.00097   0.00075   1.11750
   D96       -3.08452   0.00008  -0.00013  -0.00291  -0.00306  -3.08758
   D97        3.06842  -0.00031  -0.00007  -0.00246  -0.00241   3.06601
   D98       -1.14969  -0.00020  -0.00018  -0.00275  -0.00283  -1.15252
   D99        0.93222  -0.00057  -0.00013  -0.00663  -0.00664   0.92558
   D100      -1.72294  -0.00040  -0.00019  -0.03153  -0.03170  -1.75464
   D101       0.43405  -0.00034  -0.00023  -0.02962  -0.02983   0.40422
   D102       2.52408  -0.00032  -0.00031  -0.03366  -0.03394   2.49014
   D103       0.34118  -0.00007  -0.00022  -0.02247  -0.02268   0.31850
   D104       2.49818  -0.00001  -0.00026  -0.02055  -0.02082   2.47736
   D105      -1.69498   0.00001  -0.00034  -0.02459  -0.02493  -1.71991
   D106       2.51957  -0.00023  -0.00016  -0.03103  -0.03118   2.48839
   D107      -1.60662  -0.00017  -0.00020  -0.02912  -0.02932  -1.63594
   D108       0.48341  -0.00016  -0.00028  -0.03316  -0.03343   0.44998
   D109      -2.15325  -0.00058  -0.00027  -0.06422  -0.06449  -2.21774
   D110       0.98178  -0.00084  -0.00024  -0.09310  -0.09333   0.88845
   D111       1.96185  -0.00122  -0.00038  -0.07581  -0.07622   1.88564
   D112      -1.18630  -0.00148  -0.00036  -0.10469  -0.10506  -1.29136
   D113      -0.12364  -0.00002  -0.00053  -0.06767  -0.06820  -0.19184
   D114       3.01139  -0.00028  -0.00051  -0.09655  -0.09704   2.91435
   D115       0.14843   0.00000   0.00015   0.02110   0.02126   0.16969
   D116      -1.99630  -0.00065   0.00036   0.01934   0.01970  -1.97660
   D117       2.17105  -0.00017   0.00005   0.01651   0.01655   2.18760
   D118      -1.96208   0.00017   0.00004   0.01530   0.01534  -1.94675
   D119       2.17637  -0.00047   0.00024   0.01354   0.01378   2.19015
   D120       0.06054   0.00000  -0.00007   0.01071   0.01062   0.07116
   D121       2.25197   0.00047   0.00010   0.01913   0.01922   2.27119
   D122       0.10724  -0.00018   0.00030   0.01736   0.01766   0.12490
   D123      -2.00859   0.00030  -0.00001   0.01453   0.01451  -1.99409
   D124       1.22552   0.00095  -0.00024   0.05152   0.05136   1.27687
   D125      -0.85834   0.00039   0.00014   0.04581   0.04607  -0.81227
   D126      -3.01082   0.00058  -0.00017   0.04253   0.04244  -2.96838
   D127      -2.92116   0.00055  -0.00023   0.04522   0.04496  -2.87620
   D128       1.27817  -0.00001   0.00015   0.03951   0.03968   1.31785
   D129      -0.87431   0.00018  -0.00016   0.03623   0.03605  -0.83826
   D130      -0.89225   0.00012  -0.00017   0.03478   0.03461  -0.85764
   D131      -2.97611  -0.00044   0.00021   0.02906   0.02933  -2.94678
   D132       1.15460  -0.00025  -0.00010   0.02578   0.02570   1.18030
   D133       1.00052   0.00027   0.00000   0.01036   0.01038   1.01090
   D134       3.09654   0.00035   0.00004   0.01301   0.01308   3.10962
   D135      -1.07439   0.00038   0.00012   0.01618   0.01633  -1.05806
   D136       3.08869  -0.00007  -0.00010   0.01100   0.01088   3.09957
   D137      -1.09847   0.00000  -0.00006   0.01366   0.01358  -1.08489
   D138       1.01379   0.00004   0.00002   0.01683   0.01682   1.03061
   D139      -1.07818  -0.00012   0.00024   0.01699   0.01723  -1.06095
   D140       1.01785  -0.00004   0.00028   0.01964   0.01993   1.03777
   D141       3.13010  -0.00001   0.00036   0.02281   0.02317  -3.12991
   D142       0.98275  -0.00016   0.00004  -0.00703  -0.00700   0.97576
   D143      -2.16204  -0.00008  -0.00014  -0.01254  -0.01267  -2.17471
   D144      -1.13040  -0.00037   0.00017  -0.00516  -0.00499  -1.13538
   D145       2.00800  -0.00028  -0.00001  -0.01066  -0.01065   1.99734
   D146       3.09397  -0.00017   0.00008  -0.00625  -0.00618   3.08779
   D147      -0.05082  -0.00008  -0.00010  -0.01175  -0.01185  -0.06267
   D148      -0.78581   0.00006   0.00001  -0.01611  -0.01609  -0.80190
   D149       1.30116  -0.00008  -0.00012  -0.02304  -0.02315   1.27801
   D150      -2.88736  -0.00010  -0.00003  -0.02012  -0.02013  -2.90749
   D151       1.27790  -0.00017  -0.00008  -0.01657  -0.01666   1.26123
   D152      -2.91832  -0.00031  -0.00022  -0.02350  -0.02373  -2.94205
   D153      -0.82365  -0.00032  -0.00012  -0.02057  -0.02071  -0.84436
   D154      -2.89320   0.00017   0.00000  -0.01222  -0.01223  -2.90542
   D155      -0.80623   0.00003  -0.00014  -0.01915  -0.01929  -0.82552
   D156       1.28844   0.00001  -0.00005  -0.01623  -0.01627   1.27217
   D157       2.13494  -0.00009   0.00010   0.01331   0.01340   2.14833
   D158      -1.03218  -0.00006   0.00011   0.01360   0.01371  -1.01847
   D159       0.04641   0.00015   0.00008   0.01138   0.01146   0.05787
   D160      -3.12071   0.00018   0.00010   0.01167   0.01178  -3.10893
   D161      -2.01650  -0.00001   0.00005   0.00922   0.00928  -2.00722
   D162       1.09957   0.00002   0.00006   0.00952   0.00960   1.10916
   D163       0.93927  -0.00009   0.00000  -0.00582  -0.00584   0.93343
   D164      -1.18195  -0.00024  -0.00003  -0.01054  -0.01059  -1.19255
   D165       3.08342  -0.00004   0.00001  -0.00505  -0.00506   3.07837
   D166       3.05656   0.00020  -0.00002  -0.00034  -0.00036   3.05621
   D167       0.93533   0.00005  -0.00005  -0.00506  -0.00511   0.93022
   D168      -1.08247   0.00024  -0.00001   0.00043   0.00043  -1.08205
   D169      -1.20523  -0.00007  -0.00004  -0.00595  -0.00598  -1.21121
   D170       2.95673  -0.00022  -0.00007  -0.01067  -0.01073   2.94599
   D171       0.93892  -0.00003  -0.00003  -0.00517  -0.00520   0.93372
   D172      -0.99167   0.00016  -0.00001   0.00947   0.00945  -0.98222
   D173       2.15308   0.00008   0.00016   0.01491   0.01509   2.16817
   D174       1.13624   0.00029   0.00002   0.01393   0.01395   1.15019
   D175      -2.00220   0.00020   0.00019   0.01938   0.01958  -1.98262
   D176      -3.11937   0.00012  -0.00004   0.00823   0.00818  -3.11119
   D177       0.02537   0.00004   0.00013   0.01367   0.01382   0.03919
   D178       0.02278  -0.00004   0.00008   0.00444   0.00448   0.02726
   D179      -3.13117  -0.00009   0.00009   0.00117   0.00124  -3.12993
   D180      -3.12221   0.00005  -0.00011  -0.00141  -0.00155  -3.12377
   D181       0.00702   0.00000  -0.00009  -0.00468  -0.00479   0.00223
   D182       0.40519  -0.00046  -0.00051  -0.11204  -0.11255   0.29264
   D183      -1.56659  -0.00113  -0.00021  -0.11159  -0.11181  -1.67840
   D184       2.57793  -0.00106  -0.00031  -0.11521  -0.11552   2.46240
   D185      -2.72986  -0.00019  -0.00053  -0.08323  -0.08375  -2.81361
   D186       1.58154  -0.00087  -0.00023  -0.08278  -0.08301   1.49853
   D187      -0.55713  -0.00080  -0.00033  -0.08640  -0.08672  -0.64385
   D188      -0.01351  -0.00009  -0.00004  -0.00353  -0.00355  -0.01706
   D189       3.12792  -0.00002   0.00001  -0.00057  -0.00054   3.12738
   D190      -3.12824  -0.00011  -0.00005  -0.00361  -0.00365  -3.13189
   D191       0.01319  -0.00004   0.00000  -0.00065  -0.00064   0.01255
   D192      -3.12312  -0.00003   0.00000  -0.00285  -0.00286  -3.12598
   D193       0.01446   0.00008  -0.00003   0.00413   0.00409   0.01855
   D194       0.02991   0.00002  -0.00001   0.00013   0.00009   0.03001
   D195      -3.11570   0.00012  -0.00004   0.00711   0.00704  -3.10865
   D196       3.11829   0.00008  -0.00002   0.00225   0.00221   3.12050
   D197      -0.01932  -0.00003   0.00001  -0.00469  -0.00467  -0.02399
   D198      -0.02315   0.00001  -0.00007  -0.00050  -0.00057  -0.02372
   D199       3.12243  -0.00009  -0.00004  -0.00744  -0.00745   3.11498
         Item               Value     Threshold  Converged?
 Maximum Force            0.005475     0.000450     NO 
 RMS     Force            0.000782     0.000300     NO 
 Maximum Displacement     0.542556     0.001800     NO 
 RMS     Displacement     0.058601     0.001200     NO 
 Predicted change in Energy=-1.432617D-03
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C22H29FO5
 Framework group  C1[X(C22H29FO5)]
 Deg. of freedom   165
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          9           0        1.545776    0.016186   -1.398035
      2          8           0       -3.019792    0.381190   -1.797389
      3          8           0        0.408132   -2.136309    1.213768
      4          8           0       -5.038159    0.022069    0.891585
      5          8           0       -5.751143   -2.283648   -0.381546
      6          8           0        6.460623   -0.137399   -1.455567
      7          6           0       -1.644086   -0.144374    0.216424
      8          6           0       -0.749681    1.111312   -0.028360
      9          6           0        0.633770    0.930068    0.605808
     10          6           0        1.343502   -0.277527   -0.066872
     11          6           0       -3.006465    0.379824   -0.363449
     12          6           0       -1.618054    2.292514    0.437586
     13          6           0       -1.008385   -1.336829   -0.524984
     14          6           0       -3.072507    1.886700    0.070015
     15          6           0        0.460287   -1.572306   -0.108964
     16          6           0        2.786434   -0.500168    0.521903
     17          6           0        1.474501    2.210908    0.485701
     18          6           0       -1.857794   -0.478354    1.697614
     19          6           0        2.892143    2.009465    1.035771
     20          6           0        3.548850    0.820556    0.392986
     21          6           0       -4.245027   -0.424501    0.108826
     22          6           0       -3.679856    2.764394   -1.016765
     23          6           0        2.747943   -0.877247    2.013821
     24          6           0        3.471024   -1.636910   -0.213030
     25          6           0        4.726943    0.917942   -0.238686
     26          6           0       -4.417941   -1.807451   -0.524497
     27          6           0        4.640858   -1.519183   -0.842127
     28          6           0        5.387021   -0.228405   -0.899161
     29          1           0       -0.626866    1.233511   -1.141558
     30          1           0        0.512652    0.670697    1.693113
     31          1           0       -1.524828    2.476549    1.520356
     32          1           0       -1.322438    3.227334   -0.064619
     33          1           0       -1.050325   -1.165806   -1.621155
     34          1           0       -1.571461   -2.270434   -0.322891
     35          1           0       -3.716532    1.946454    0.987328
     36          1           0        0.925425   -2.321244   -0.796934
     37          1           0        0.976292    3.035500    1.033497
     38          1           0        1.527051    2.544580   -0.571140
     39          1           0       -2.411678    0.300992    2.232670
     40          1           0       -2.394742   -1.422818    1.838379
     41          1           0       -0.892226   -0.605803    2.216807
     42          1           0        2.864219    1.873163    2.138772
     43          1           0        3.488433    2.932440    0.872918
     44          1           0       -4.689541    2.423461   -1.280724
     45          1           0       -3.753824    3.809165   -0.698432
     46          1           0       -3.085968    2.726831   -1.940915
     47          1           0        2.064894   -0.228082    2.578361
     48          1           0        2.397333   -1.904096    2.172870
     49          1           0        3.744728   -0.797535    2.467711
     50          1           0       -2.732837   -0.481909   -2.159612
     51          1           0        2.943155   -2.591360   -0.173654
     52          1           0        0.996486   -2.913378    1.289070
     53          1           0        5.275439    1.857912   -0.321214
     54          1           0       -3.834404   -2.571062    0.038295
     55          1           0       -4.117246   -1.818346   -1.589230
     56          1           0        5.127821   -2.349682   -1.356109
     57          1           0       -6.389178   -1.652481   -0.783819
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.4243028      0.1027527      0.0944234
 Standard basis: VSTO-6G (5D, 7F)
 There are   141 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   141 basis functions,   846 primitive gaussians,   141 cartesian basis functions
    77 alpha electrons       77 beta electrons
       nuclear repulsion energy      1659.4608051756 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   141 RedAO= F  NBF=   141
 NBsUse=   141 1.00D-04 NBFU=   141
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=982442.
 SCF Done:  E(RPM6) = -0.406721708266     A.U. after   14 cycles
             Convg  =    0.8515D-08             -V/T =  0.9988
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        9          -0.000080592   -0.000512068    0.000545655
      2        8          -0.001766621    0.000380480   -0.001916356
      3        8          -0.002554090    0.000504167   -0.000005417
      4        8          -0.003385266   -0.002026233   -0.003473332
      5        8           0.001006830    0.001438067    0.001771938
      6        8           0.001145504    0.000026587    0.000380020
      7        6          -0.001121017    0.000727634   -0.000405795
      8        6          -0.000650475    0.000329062   -0.000302336
      9        6           0.000019244   -0.000196757    0.000405818
     10        6           0.000448541    0.001808065    0.000157638
     11        6           0.001126819    0.001398406    0.001112926
     12        6          -0.000902850    0.000986020    0.000698924
     13        6           0.000985830   -0.001514580   -0.001156556
     14        6          -0.000871846    0.000266315   -0.000819668
     15        6          -0.001140780   -0.000411761   -0.000253328
     16        6          -0.000676489   -0.000438137   -0.000254470
     17        6           0.000092268    0.000067943   -0.000826560
     18        6           0.002282956    0.000505929    0.000667976
     19        6          -0.000226334   -0.000500525    0.000162432
     20        6          -0.000455419    0.000153525   -0.000594873
     21        6           0.003999660    0.000937910    0.006218991
     22        6          -0.000002409    0.000036680   -0.000727735
     23        6           0.001011611   -0.000562459   -0.000311369
     24        6          -0.000333628    0.000068542   -0.000350976
     25        6           0.000931259   -0.000043168    0.000172912
     26        6           0.000098908    0.000094705   -0.002094219
     27        6           0.000910312    0.000324695    0.000454924
     28        6          -0.002042418    0.000071960   -0.000603421
     29        1           0.000075700    0.000171747   -0.001474773
     30        1           0.000081283   -0.000433795    0.000959979
     31        1           0.000126813    0.000349927    0.000300306
     32        1           0.000245837   -0.000445642   -0.000129870
     33        1           0.000139085    0.000176821   -0.000412769
     34        1           0.000186130   -0.000964084   -0.000392717
     35        1           0.000675365   -0.000242954    0.001239830
     36        1          -0.001185876   -0.001092117   -0.000443107
     37        1           0.000339441    0.000257481    0.000191508
     38        1          -0.000077571    0.000063368   -0.000231113
     39        1           0.000218444   -0.000036512    0.000143343
     40        1           0.000085183   -0.000096508    0.000391032
     41        1          -0.000341792    0.000562455    0.000881435
     42        1           0.000236209   -0.000097910    0.000637702
     43        1          -0.000275744    0.000294963   -0.000044602
     44        1           0.000198954   -0.000093329   -0.000015251
     45        1           0.000267067    0.000224580   -0.000045379
     46        1          -0.000055597    0.000059122    0.000080432
     47        1           0.000193199    0.000090386   -0.000097251
     48        1           0.000009349    0.000119519   -0.000297015
     49        1          -0.000272677    0.000069633    0.000224404
     50        1           0.001488850    0.000512481   -0.000060779
     51        1           0.000616301   -0.000103190    0.000397507
     52        1           0.000328063   -0.000681107    0.000465283
     53        1          -0.000211154   -0.000159810   -0.000070097
     54        1           0.000714219   -0.001248477    0.000822778
     55        1          -0.001435164    0.000045216   -0.000359796
     56        1          -0.000122011    0.000056987   -0.000096783
     57        1          -0.000097415   -0.001280260   -0.001217976
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.006218991 RMS     0.001003143

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.005252039 RMS     0.000628672
 Search for a local minimum.
 Step number   4 out of a maximum of  342
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points    3    4
 DE= -1.39D-03 DEPred=-1.43D-03 R= 9.67D-01
 SS=  1.41D+00  RLast= 4.39D-01 DXNew= 1.4270D+00 1.3167D+00
 Trust test= 9.67D-01 RLast= 4.39D-01 DXMaxT set to 1.32D+00
     Eigenvalues ---    0.00209   0.00231   0.00262   0.00326   0.00424
     Eigenvalues ---    0.00441   0.00498   0.00553   0.00563   0.00684
     Eigenvalues ---    0.00708   0.00761   0.01089   0.01254   0.01266
     Eigenvalues ---    0.01322   0.01424   0.01460   0.01473   0.01627
     Eigenvalues ---    0.01704   0.01765   0.02090   0.02233   0.02314
     Eigenvalues ---    0.02427   0.02999   0.03354   0.03681   0.03752
     Eigenvalues ---    0.03917   0.04044   0.04253   0.04340   0.04508
     Eigenvalues ---    0.04626   0.04735   0.04889   0.04938   0.04975
     Eigenvalues ---    0.05096   0.05141   0.05287   0.05323   0.05330
     Eigenvalues ---    0.05397   0.05422   0.05472   0.05553   0.05635
     Eigenvalues ---    0.05825   0.05946   0.06041   0.06245   0.06569
     Eigenvalues ---    0.06842   0.07020   0.07087   0.07147   0.07236
     Eigenvalues ---    0.07341   0.07842   0.08053   0.08198   0.08224
     Eigenvalues ---    0.08266   0.08372   0.09178   0.09376   0.10591
     Eigenvalues ---    0.11182   0.11744   0.11904   0.12824   0.13365
     Eigenvalues ---    0.13748   0.14551   0.14961   0.15223   0.15754
     Eigenvalues ---    0.15969   0.15994   0.15999   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16080   0.16161   0.16413
     Eigenvalues ---    0.16754   0.17906   0.19100   0.19551   0.20548
     Eigenvalues ---    0.21621   0.22052   0.22569   0.23131   0.24470
     Eigenvalues ---    0.24803   0.24927   0.24994   0.25066   0.25482
     Eigenvalues ---    0.26560   0.26669   0.26811   0.27424   0.27772
     Eigenvalues ---    0.28166   0.28383   0.28539   0.28952   0.29250
     Eigenvalues ---    0.29689   0.29742   0.30512   0.31144   0.32209
     Eigenvalues ---    0.33210   0.33631   0.33853   0.33881   0.33893
     Eigenvalues ---    0.33987   0.34030   0.34066   0.34086   0.34113
     Eigenvalues ---    0.34166   0.34210   0.34234   0.34239   0.34245
     Eigenvalues ---    0.34272   0.34288   0.34297   0.34344   0.34363
     Eigenvalues ---    0.34444   0.34497   0.34621   0.34949   0.35069
     Eigenvalues ---    0.35400   0.35528   0.36106   0.37445   0.42446
     Eigenvalues ---    0.43869   0.47853   0.50565   0.52724   0.53021
     Eigenvalues ---    0.53499   0.53780   0.57950   0.88775   0.92324
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:     4    3
 RFO step:  Lambda=-4.21592092D-04.
 DIIS coeffs:      1.23144     -0.23144
 Iteration  1 RMS(Cart)=  0.10839514 RMS(Int)=  0.02451749
 Iteration  2 RMS(Cart)=  0.05559029 RMS(Int)=  0.00378983
 Iteration  3 RMS(Cart)=  0.00552834 RMS(Int)=  0.00010532
 Iteration  4 RMS(Cart)=  0.00004813 RMS(Int)=  0.00010144
 Iteration  5 RMS(Cart)=  0.00000001 RMS(Int)=  0.00010144
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.60424   0.00061  -0.00046  -0.00085  -0.00132   2.60293
    R2        2.70987  -0.00194   0.00195   0.00633   0.00828   2.71815
    R3        1.85009   0.00090   0.00176   0.01176   0.01352   1.86361
    R4        2.71913  -0.00040   0.00137   0.00648   0.00785   2.72698
    R5        1.84736  -0.00038   0.00021   0.00022   0.00043   1.84779
    R6        2.26861   0.00525  -0.00026   0.00711   0.00685   2.27546
    R7        2.68888  -0.00085  -0.00007  -0.00203  -0.00210   2.68678
    R8        1.85856   0.00032   0.00096   0.00596   0.00691   1.86547
    R9        2.29155   0.00119  -0.00076  -0.00213  -0.00289   2.28866
   R10        2.94980  -0.00106   0.00130   0.00263   0.00391   2.95371
   R11        2.96820  -0.00105   0.00166   0.00669   0.00819   2.97639
   R12        2.91272  -0.00395   0.00304  -0.00326  -0.00020   2.91253
   R13        2.89760  -0.00218   0.00184   0.00084   0.00268   2.90028
   R14        2.89625  -0.00050   0.00055   0.00620   0.00673   2.90298
   R15        2.90700  -0.00084  -0.00057  -0.00610  -0.00653   2.90047
   R16        2.12896  -0.00146   0.00019  -0.00501  -0.00482   2.12414
   R17        2.93638  -0.00030  -0.00008   0.00232   0.00217   2.93855
   R18        2.90416  -0.00026  -0.00066  -0.00412  -0.00479   2.89938
   R19        2.12472  -0.00103   0.00194   0.00617   0.00811   2.13283
   R20        2.96289   0.00013  -0.00001  -0.00099  -0.00098   2.96191
   R21        2.97491   0.00118   0.00060   0.00580   0.00641   2.98132
   R22        2.96568  -0.00038   0.00499   0.02749   0.03238   2.99806
   R23        2.93000  -0.00230   0.00146   0.00013   0.00159   2.93159
   R24        2.93682  -0.00077  -0.00097  -0.00713  -0.00800   2.92883
   R25        2.08295  -0.00036  -0.00012  -0.00206  -0.00218   2.08076
   R26        2.08169   0.00037   0.00056   0.00449   0.00505   2.08674
   R27        2.91871  -0.00302   0.00047  -0.01458  -0.01408   2.90462
   R28        2.09802  -0.00043   0.00040   0.00030   0.00070   2.09872
   R29        2.09539  -0.00082   0.00082   0.00115   0.00197   2.09736
   R30        2.87854  -0.00081   0.00062   0.00074   0.00135   2.87989
   R31        2.12105  -0.00138   0.00088  -0.00089  -0.00001   2.12103
   R32        2.11325  -0.00152  -0.00080  -0.01084  -0.01164   2.10161
   R33        2.89209  -0.00003   0.00035   0.00225   0.00257   2.89466
   R34        2.90888   0.00038  -0.00058  -0.00258  -0.00316   2.90573
   R35        2.86652   0.00058  -0.00059  -0.00115  -0.00177   2.86475
   R36        2.89866  -0.00073  -0.00081  -0.00597  -0.00678   2.89188
   R37        2.09431  -0.00044   0.00041   0.00040   0.00080   2.09512
   R38        2.09667  -0.00024   0.00023   0.00015   0.00038   2.09705
   R39        2.07048  -0.00015  -0.00011  -0.00126  -0.00137   2.06912
   R40        2.07021  -0.00019  -0.00004  -0.00097  -0.00101   2.06920
   R41        2.08567  -0.00068   0.00136   0.00472   0.00608   2.09175
   R42        2.83959  -0.00016  -0.00041  -0.00194  -0.00232   2.83727
   R43        2.10089  -0.00065   0.00050  -0.00008   0.00042   2.10131
   R44        2.09918  -0.00040   0.00050   0.00097   0.00147   2.10066
   R45        2.53279   0.00030  -0.00048  -0.00178  -0.00226   2.53053
   R46        2.89292  -0.00131   0.00063  -0.00101  -0.00038   2.89253
   R47        2.07472  -0.00022   0.00025   0.00055   0.00080   2.07552
   R48        2.06867  -0.00023  -0.00027  -0.00232  -0.00259   2.06608
   R49        2.07712   0.00004   0.00056   0.00322   0.00378   2.08090
   R50        2.07584  -0.00013   0.00045   0.00180   0.00225   2.07809
   R51        2.07237   0.00016   0.00006   0.00076   0.00082   2.07319
   R52        2.07522  -0.00035  -0.00048  -0.00407  -0.00454   2.07067
   R53        2.51989   0.00032  -0.00102  -0.00475  -0.00576   2.51412
   R54        2.06246  -0.00041  -0.00025  -0.00300  -0.00325   2.05921
   R55        2.79401  -0.00007   0.00018   0.00020   0.00041   2.79442
   R56        2.06249   0.00003   0.00057   0.00308   0.00365   2.06614
   R57        2.10461  -0.00089   0.00132   0.00377   0.00509   2.10969
   R58        2.09085  -0.00075   0.00018  -0.00200  -0.00183   2.08903
   R59        2.81951  -0.00018   0.00096   0.00370   0.00469   2.82420
   R60        2.06235  -0.00005   0.00046   0.00221   0.00268   2.06503
    A1        1.94594  -0.00073   0.00281   0.01217   0.01498   1.96092
    A2        1.93967  -0.00109   0.00056  -0.00506  -0.00450   1.93517
    A3        1.93048  -0.00067   0.00186   0.00677   0.00864   1.93912
    A4        1.74226  -0.00018   0.00055   0.01516   0.01555   1.75781
    A5        1.88662   0.00062  -0.00079  -0.00975  -0.01055   1.87607
    A6        1.98948  -0.00004  -0.00051  -0.00642  -0.00690   1.98257
    A7        2.02455  -0.00035  -0.00098  -0.00355  -0.00424   2.02031
    A8        1.88433   0.00129  -0.00285   0.00422   0.00130   1.88563
    A9        1.93224  -0.00123   0.00411   0.00096   0.00497   1.93721
   A10        1.93606  -0.00007  -0.00084   0.00000  -0.00096   1.93510
   A11        1.82011   0.00015   0.00009  -0.00071  -0.00075   1.81936
   A12        1.88038  -0.00010  -0.00032  -0.00289  -0.00317   1.87722
   A13        2.06579   0.00002   0.00110   0.00780   0.00922   2.07501
   A14        1.89999   0.00002  -0.00015  -0.00558  -0.00579   1.89420
   A15        1.85203  -0.00004   0.00004   0.00078   0.00071   1.85274
   A16        1.90188   0.00002  -0.00051   0.00329   0.00266   1.90455
   A17        1.94219  -0.00003   0.00044   0.00318   0.00370   1.94589
   A18        1.90730  -0.00011   0.00103   0.00276   0.00379   1.91109
   A19        1.94336   0.00027  -0.00022  -0.00096  -0.00120   1.94216
   A20        1.86353  -0.00025  -0.00173  -0.01054  -0.01224   1.85128
   A21        1.90368   0.00008   0.00094   0.00179   0.00268   1.90636
   A22        1.89607   0.00033   0.00096  -0.00142  -0.00046   1.89561
   A23        1.80570  -0.00007  -0.00097  -0.00738  -0.00830   1.79740
   A24        1.83058  -0.00033  -0.00020  -0.00419  -0.00439   1.82619
   A25        1.97807  -0.00121   0.00134   0.00405   0.00525   1.98332
   A26        1.94620  -0.00041   0.00013  -0.00132  -0.00124   1.94497
   A27        1.99278   0.00174  -0.00133   0.00848   0.00723   2.00001
   A28        1.95794  -0.00009   0.00214   0.01187   0.01424   1.97217
   A29        1.84927   0.00045  -0.00051   0.00564   0.00525   1.85451
   A30        1.87303  -0.00002   0.00070   0.00293   0.00353   1.87656
   A31        1.82862   0.00017  -0.00025  -0.00010  -0.00107   1.82755
   A32        1.99028  -0.00029  -0.00085  -0.00950  -0.01031   1.97998
   A33        1.96097  -0.00017  -0.00122  -0.00988  -0.01089   1.95008
   A34        1.82984   0.00003   0.00082   0.00902   0.00930   1.83914
   A35        1.95843  -0.00030   0.00005  -0.00602  -0.00585   1.95258
   A36        1.94125   0.00013  -0.00020   0.00046   0.00037   1.94162
   A37        1.93381   0.00018   0.00153   0.00668   0.00843   1.94224
   A38        1.94434  -0.00001  -0.00136  -0.00367  -0.00493   1.93941
   A39        1.85819  -0.00003  -0.00082  -0.00632  -0.00723   1.85096
   A40        1.96121  -0.00012   0.00375  -0.00078   0.00273   1.96393
   A41        1.91789   0.00031  -0.00277  -0.00042  -0.00315   1.91474
   A42        1.93294  -0.00044   0.00113  -0.00220  -0.00101   1.93193
   A43        1.90218   0.00025  -0.00067   0.00722   0.00663   1.90881
   A44        1.88117  -0.00011   0.00016  -0.00129  -0.00108   1.88009
   A45        1.86551   0.00012  -0.00180  -0.00248  -0.00432   1.86119
   A46        1.85112  -0.00033  -0.00024  -0.00029  -0.00097   1.85015
   A47        1.95300   0.00041   0.00025   0.00626   0.00676   1.95976
   A48        1.87653   0.00015  -0.00128  -0.00408  -0.00530   1.87124
   A49        1.97299  -0.00012   0.00036  -0.00044   0.00001   1.97300
   A50        1.90689   0.00013   0.00109   0.00379   0.00504   1.91192
   A51        1.90036  -0.00022  -0.00022  -0.00526  -0.00559   1.89477
   A52        1.89592   0.00116  -0.00026   0.01200   0.01176   1.90769
   A53        1.84720  -0.00175   0.00088  -0.00662  -0.00576   1.84144
   A54        1.89452   0.00050  -0.00296  -0.00712  -0.01008   1.88444
   A55        2.00092   0.00095   0.00163   0.00076   0.00226   2.00317
   A56        1.91269  -0.00046  -0.00136  -0.00589  -0.00720   1.90549
   A57        1.90913  -0.00040   0.00188   0.00645   0.00839   1.91752
   A58        1.87870  -0.00015   0.00006  -0.00459  -0.00455   1.87415
   A59        1.95434   0.00093  -0.00047   0.00968   0.00920   1.96355
   A60        1.91606  -0.00011  -0.00034   0.00008  -0.00025   1.91581
   A61        1.88126  -0.00060   0.00011  -0.00624  -0.00611   1.87515
   A62        1.96174   0.00006   0.00094   0.00339   0.00432   1.96606
   A63        1.87265  -0.00012  -0.00028  -0.00205  -0.00233   1.87032
   A64        1.94778   0.00046   0.00082   0.00916   0.00984   1.95762
   A65        1.91299   0.00012   0.00028   0.00339   0.00367   1.91666
   A66        1.92943  -0.00033  -0.00006  -0.00329  -0.00331   1.92612
   A67        1.91339  -0.00019   0.00055   0.00142   0.00196   1.91534
   A68        1.91485  -0.00015  -0.00064  -0.00479  -0.00540   1.90945
   A69        1.84248   0.00006  -0.00104  -0.00674  -0.00780   1.83468
   A70        1.96846   0.00015  -0.00079  -0.00144  -0.00222   1.96623
   A71        1.96083  -0.00046   0.00127   0.00196   0.00323   1.96405
   A72        1.93653  -0.00064   0.00134   0.00237   0.00371   1.94024
   A73        1.87833   0.00030   0.00015   0.00466   0.00481   1.88314
   A74        1.86992   0.00047  -0.00063   0.00197   0.00134   1.87126
   A75        1.84294   0.00025  -0.00150  -0.00999  -0.01149   1.83145
   A76        1.93308  -0.00002   0.00075   0.00829   0.00890   1.94199
   A77        1.92695   0.00018   0.00025   0.00190   0.00215   1.92911
   A78        1.91178  -0.00009  -0.00006  -0.00135  -0.00137   1.91041
   A79        1.91599  -0.00021   0.00034  -0.00103  -0.00070   1.91529
   A80        1.93916   0.00019  -0.00022  -0.00081  -0.00099   1.93818
   A81        1.83465  -0.00005  -0.00115  -0.00782  -0.00899   1.82566
   A82        2.01423   0.00003   0.00050   0.00443   0.00480   2.01903
   A83        2.14157  -0.00001  -0.00114  -0.00536  -0.00653   2.13504
   A84        2.12735  -0.00003   0.00063   0.00083   0.00157   2.12892
   A85        2.13340   0.00012   0.00089   0.00603   0.00639   2.13979
   A86        2.13077   0.00021   0.00127   0.00828   0.00901   2.13978
   A87        2.01845  -0.00031  -0.00228  -0.01225  -0.01506   2.00338
   A88        1.93830   0.00011   0.00087   0.00613   0.00699   1.94529
   A89        1.94915  -0.00029   0.00048   0.00001   0.00048   1.94963
   A90        1.94415   0.00007   0.00027   0.00209   0.00237   1.94651
   A91        1.87984   0.00013  -0.00023   0.00019  -0.00006   1.87978
   A92        1.85891  -0.00008  -0.00169  -0.00955  -0.01124   1.84767
   A93        1.88980   0.00006   0.00018   0.00054   0.00071   1.89051
   A94        1.94860   0.00021  -0.00010   0.00152   0.00142   1.95003
   A95        1.95836   0.00039  -0.00059  -0.00001  -0.00060   1.95776
   A96        1.93919  -0.00025  -0.00045  -0.00543  -0.00588   1.93331
   A97        1.85460  -0.00021  -0.00091  -0.00482  -0.00573   1.84887
   A98        1.88504  -0.00005   0.00103   0.00451   0.00555   1.89059
   A99        1.87362  -0.00012   0.00111   0.00459   0.00569   1.87932
   A100       2.16318  -0.00005  -0.00086  -0.00308  -0.00401   2.15917
   A101       2.00379   0.00066  -0.00139  -0.00308  -0.00443   1.99936
   A102       2.11593  -0.00061   0.00225   0.00613   0.00842   2.12435
   A103       2.14911  -0.00020   0.00112   0.00513   0.00622   2.15533
   A104       2.14117  -0.00017   0.00026  -0.00056  -0.00029   2.14088
   A105       1.99281   0.00037  -0.00139  -0.00463  -0.00601   1.98681
   A106       1.94615   0.00028   0.00079   0.00609   0.00679   1.95294
   A107       1.78309   0.00064  -0.00122   0.00578   0.00446   1.78755
   A108       1.92626  -0.00062   0.00016  -0.00923  -0.00912   1.91713
   A109       1.92961  -0.00012   0.00148   0.00966   0.01110   1.94070
   A110       1.95661  -0.00021  -0.00199  -0.01570  -0.01770   1.93891
   A111       1.91467   0.00011   0.00092   0.00564   0.00662   1.92129
   A112       2.13311  -0.00028   0.00110   0.00404   0.00512   2.13824
   A113       2.14892  -0.00002   0.00124   0.00604   0.00728   2.15620
   A114       2.00115   0.00029  -0.00234  -0.01009  -0.01243   1.98873
   A115       2.14366  -0.00016   0.00133   0.00645   0.00776   2.15141
   A116       2.12378  -0.00033  -0.00001  -0.00141  -0.00143   2.12235
   A117       2.01574   0.00048  -0.00132  -0.00501  -0.00632   2.00942
    D1        0.87816  -0.00100  -0.00991  -0.12196  -0.13162   0.74654
    D2        2.86370  -0.00058  -0.00944  -0.11302  -0.12270   2.74100
    D3       -1.32103  -0.00055  -0.01077  -0.12006  -0.13083  -1.45186
    D4       -1.79923   0.00043   0.00813   0.06347   0.07154  -1.72769
    D5        2.32718  -0.00032   0.00582   0.05971   0.06562   2.39280
    D6        0.27941   0.00082   0.00462   0.05918   0.06377   0.34318
    D7        1.00576  -0.00128  -0.01670  -0.17740  -0.19411   0.81165
    D8        3.06702  -0.00094  -0.01530  -0.16011  -0.17538   2.89163
    D9       -1.18097  -0.00075  -0.01481  -0.15455  -0.16937  -1.35034
   D10        3.02627   0.00024   0.00067  -0.00912  -0.00856   3.01771
   D11        0.78396   0.00015  -0.00025  -0.01831  -0.01890   0.76506
   D12       -1.17894   0.00017  -0.00020  -0.01769  -0.01807  -1.19701
   D13       -1.13388   0.00001  -0.00048  -0.00963  -0.01008  -1.14396
   D14        2.90700  -0.00008  -0.00140  -0.01882  -0.02042   2.88658
   D15        0.94410  -0.00007  -0.00135  -0.01821  -0.01959   0.92451
   D16        1.02240  -0.00114   0.00388  -0.02012  -0.01616   1.00624
   D17       -1.21991  -0.00123   0.00297  -0.02931  -0.02649  -1.24640
   D18        3.10038  -0.00122   0.00301  -0.02870  -0.02567   3.07471
   D19        1.33104   0.00039   0.00405   0.05709   0.06114   1.39218
   D20       -0.66717  -0.00020   0.00377   0.04485   0.04867  -0.61850
   D21       -2.81828   0.00007   0.00601   0.06307   0.06909  -2.74919
   D22       -0.68997  -0.00009   0.00507   0.06075   0.06584  -0.62413
   D23       -2.68818  -0.00067   0.00479   0.04851   0.05338  -2.63480
   D24        1.44389  -0.00041   0.00702   0.06673   0.07380   1.51769
   D25       -2.86938   0.00075   0.00264   0.05863   0.06128  -2.80810
   D26        1.41560   0.00016   0.00236   0.04639   0.04881   1.46442
   D27       -0.73551   0.00043   0.00460   0.06461   0.06923  -0.66628
   D28        0.96826   0.00044  -0.00659   0.02532   0.01874   0.98700
   D29       -1.15291  -0.00002  -0.00635   0.01694   0.01065  -1.14226
   D30        3.07318  -0.00010  -0.00309   0.02159   0.01851   3.09169
   D31        2.90633   0.00042  -0.00695   0.03582   0.02883   2.93516
   D32        0.78516  -0.00004  -0.00671   0.02744   0.02074   0.80590
   D33       -1.27193  -0.00011  -0.00346   0.03209   0.02860  -1.24333
   D34       -1.22222   0.00087  -0.00813   0.03959   0.03144  -1.19079
   D35        2.93979   0.00041  -0.00789   0.03120   0.02334   2.96314
   D36        0.88270   0.00034  -0.00464   0.03585   0.03120   0.91390
   D37        1.12473   0.00007  -0.00314  -0.09606  -0.09927   1.02546
   D38       -3.03181   0.00022  -0.00256  -0.08953  -0.09217  -3.12398
   D39       -0.97326  -0.00018  -0.00274  -0.09928  -0.10209  -1.07536
   D40       -0.79363  -0.00046  -0.00183  -0.11358  -0.11527  -0.90890
   D41        1.33301  -0.00030  -0.00126  -0.10706  -0.10817   1.22484
   D42       -2.89163  -0.00071  -0.00144  -0.11681  -0.11809  -3.00972
   D43       -3.02709  -0.00008  -0.00143  -0.11279  -0.11430  -3.14138
   D44       -0.90044   0.00008  -0.00086  -0.10627  -0.10720  -1.00764
   D45        1.15810  -0.00033  -0.00103  -0.11602  -0.11712   1.04098
   D46        1.08595  -0.00065   0.00500  -0.01328  -0.00832   1.07764
   D47       -3.04772  -0.00032   0.00466  -0.01010  -0.00551  -3.05323
   D48       -0.94435  -0.00030   0.00677  -0.00404   0.00274  -0.94161
   D49       -3.09516  -0.00048   0.00526  -0.00831  -0.00311  -3.09827
   D50       -0.94565  -0.00015   0.00492  -0.00514  -0.00030  -0.94595
   D51        1.15772  -0.00014   0.00704   0.00092   0.00795   1.16567
   D52       -0.98019  -0.00050   0.00598  -0.00627  -0.00033  -0.98052
   D53        1.16932  -0.00016   0.00565  -0.00310   0.00247   1.17179
   D54       -3.01050  -0.00015   0.00776   0.00296   0.01073  -2.99977
   D55       -0.60136  -0.00010  -0.00298  -0.01303  -0.01608  -0.61744
   D56        1.49880  -0.00002  -0.00059  -0.00257  -0.00323   1.49557
   D57       -2.70491  -0.00018  -0.00174  -0.01435  -0.01604  -2.72095
   D58       -2.76209  -0.00014  -0.00270  -0.01765  -0.02040  -2.78249
   D59       -0.66194  -0.00007  -0.00031  -0.00719  -0.00755  -0.66948
   D60        1.41754  -0.00022  -0.00145  -0.01897  -0.02036   1.39718
   D61        1.38182  -0.00016  -0.00328  -0.01625  -0.01965   1.36217
   D62       -2.80121  -0.00008  -0.00089  -0.00579  -0.00680  -2.80800
   D63       -0.72173  -0.00024  -0.00204  -0.01757  -0.01961  -0.74134
   D64        1.11272   0.00026  -0.00025   0.01747   0.01723   1.12995
   D65       -0.88383   0.00082  -0.00041   0.02512   0.02475  -0.85908
   D66        3.12169  -0.00018   0.00015   0.01081   0.01096   3.13265
   D67       -1.03609   0.00010  -0.00030   0.01181   0.01151  -1.02459
   D68       -3.03264   0.00066  -0.00046   0.01947   0.01902  -3.01361
   D69        0.97288  -0.00034   0.00010   0.00516   0.00524   0.97812
   D70       -3.11235   0.00000  -0.00026   0.01665   0.01637  -3.09598
   D71        1.17429   0.00057  -0.00042   0.02431   0.02389   1.19818
   D72       -1.10338  -0.00043   0.00014   0.01000   0.01011  -1.09327
   D73       -3.07670   0.00005   0.00093   0.00682   0.00787  -3.06882
   D74        1.08349  -0.00010  -0.00050  -0.00336  -0.00379   1.07969
   D75       -0.94040  -0.00005   0.00064   0.00473   0.00543  -0.93497
   D76       -0.95112   0.00025   0.00043   0.01260   0.01305  -0.93806
   D77       -3.07412   0.00010  -0.00099   0.00241   0.00138  -3.07273
   D78        1.18518   0.00015   0.00014   0.01051   0.01061   1.19579
   D79        1.10099   0.00015  -0.00123   0.00020  -0.00101   1.09999
   D80       -1.02201   0.00000  -0.00266  -0.00998  -0.01267  -1.03468
   D81       -3.04590   0.00005  -0.00153  -0.00188  -0.00345  -3.04934
   D82        2.93753   0.00109  -0.01090  -0.00715  -0.01803   2.91950
   D83       -1.28388   0.00028  -0.00895  -0.00665  -0.01561  -1.29949
   D84        0.87032   0.00008  -0.00636  -0.00221  -0.00856   0.86177
   D85       -1.29562   0.00085  -0.00968  -0.01135  -0.02108  -1.31670
   D86        0.76616   0.00003  -0.00774  -0.01086  -0.01866   0.74750
   D87        2.92036  -0.00017  -0.00514  -0.00641  -0.01160   2.90876
   D88        0.95852   0.00073  -0.00947  -0.00166  -0.01114   0.94737
   D89        3.02030  -0.00008  -0.00753  -0.00116  -0.00872   3.01157
   D90       -1.10869  -0.00028  -0.00493   0.00329  -0.00167  -1.11035
   D91        1.10183  -0.00008   0.00136  -0.01495  -0.01357   1.08825
   D92       -3.11671  -0.00036   0.00126  -0.01988  -0.01863  -3.13534
   D93       -1.03861   0.00001   0.00038  -0.01625  -0.01584  -1.05444
   D94       -0.94715  -0.00006   0.00027  -0.01016  -0.00987  -0.95702
   D95        1.11750  -0.00035   0.00017  -0.01509  -0.01493   1.10257
   D96       -3.08758   0.00002  -0.00071  -0.01146  -0.01213  -3.09971
   D97        3.06601   0.00047  -0.00056  -0.02224  -0.02271   3.04330
   D98       -1.15252   0.00018  -0.00066  -0.02718  -0.02777  -1.18030
   D99        0.92558   0.00055  -0.00154  -0.02354  -0.02498   0.90060
   D100      -1.75464   0.00001  -0.00734  -0.07022  -0.07749  -1.83212
   D101       0.40422  -0.00012  -0.00690  -0.06711  -0.07397   0.33026
   D102       2.49014  -0.00005  -0.00786  -0.07249  -0.08027   2.40987
   D103       0.31850   0.00020  -0.00525  -0.05419  -0.05935   0.25916
   D104       2.47736   0.00007  -0.00482  -0.05108  -0.05582   2.42154
   D105      -1.71991   0.00014  -0.00577  -0.05646  -0.06213  -1.78203
   D106       2.48839  -0.00015  -0.00722  -0.07194  -0.07911   2.40928
   D107      -1.63594  -0.00027  -0.00679  -0.06883  -0.07559  -1.71153
   D108       0.44998  -0.00020  -0.00774  -0.07421  -0.08190   0.36808
   D109      -2.21774  -0.00100  -0.01493  -0.20873  -0.22362  -2.44136
   D110       0.88845  -0.00041  -0.02160  -0.14395  -0.16557   0.72288
   D111       1.88564  -0.00067  -0.01764  -0.21977  -0.23757   1.64807
   D112      -1.29136  -0.00008  -0.02432  -0.15499  -0.17952  -1.47088
   D113      -0.19184  -0.00056  -0.01578  -0.20552  -0.22110  -0.41294
   D114       2.91435   0.00002  -0.02246  -0.14075  -0.16305   2.75130
   D115       0.16969  -0.00010   0.00492   0.04101   0.04609   0.21578
   D116      -1.97660  -0.00031   0.00456   0.03364   0.03831  -1.93830
   D117       2.18760  -0.00003   0.00383   0.03795   0.04185   2.22945
   D118      -1.94675   0.00014   0.00355   0.03915   0.04278  -1.90397
   D119       2.19015  -0.00006   0.00319   0.03179   0.03499   2.22514
   D120       0.07116   0.00021   0.00246   0.03610   0.03854   0.10970
   D121       2.27119   0.00007   0.00445   0.04509   0.04955   2.32073
   D122       0.12490  -0.00013   0.00409   0.03772   0.04176   0.16666
   D123      -1.99409   0.00014   0.00336   0.04203   0.04531  -1.94878
   D124       1.27687   0.00005   0.01189  -0.00527   0.00663   1.28350
   D125      -0.81227  -0.00074   0.01066  -0.01612  -0.00540  -0.81766
   D126      -2.96838  -0.00051   0.00982  -0.01396  -0.00414  -2.97251
   D127      -2.87620   0.00054   0.01041  -0.00126   0.00913  -2.86706
   D128       1.31785  -0.00025   0.00918  -0.01211  -0.00289   1.31495
   D129      -0.83826  -0.00001   0.00834  -0.00995  -0.00163  -0.83989
   D130      -0.85764   0.00076   0.00801  -0.00111   0.00690  -0.85073
   D131      -2.94678  -0.00003   0.00679  -0.01197  -0.00512  -2.95190
   D132       1.18030   0.00020   0.00595  -0.00980  -0.00386   1.17644
   D133       1.01090   0.00022   0.00240   0.02865   0.03119   1.04209
   D134       3.10962   0.00027   0.00303   0.03309   0.03627  -3.13729
   D135      -1.05806   0.00020   0.00378   0.03526   0.03920  -1.01887
   D136       3.09957   0.00000   0.00252   0.03247   0.03482   3.13439
   D137      -1.08489   0.00005   0.00314   0.03692   0.03990  -1.04499
   D138       1.03061  -0.00002   0.00389   0.03909   0.04282   1.07343
   D139      -1.06095  -0.00008   0.00399   0.03328   0.03727  -1.02368
   D140       1.03777  -0.00002   0.00461   0.03772   0.04235   1.08012
   D141      -3.12991  -0.00010   0.00536   0.03989   0.04527  -3.08464
   D142       0.97576   0.00035  -0.00162  -0.00322  -0.00485   0.97091
   D143      -2.17471   0.00030  -0.00293  -0.01426  -0.01718  -2.19188
   D144      -1.13538  -0.00034  -0.00115  -0.00865  -0.00982  -1.14520
   D145       1.99734  -0.00039  -0.00247  -0.01969  -0.02214   1.97520
   D146       3.08779   0.00016  -0.00143  -0.00412  -0.00556   3.08223
   D147      -0.06267   0.00010  -0.00274  -0.01516  -0.01789  -0.08056
   D148      -0.80190   0.00002  -0.00372  -0.02972  -0.03342  -0.83531
   D149       1.27801   0.00017  -0.00536  -0.03484  -0.04017   1.23784
   D150      -2.90749   0.00010  -0.00466  -0.03277  -0.03740  -2.94488
   D151       1.26123   0.00000  -0.00386  -0.03366  -0.03754   1.22369
   D152      -2.94205   0.00015  -0.00549  -0.03878  -0.04429  -2.98634
   D153      -0.84436   0.00009  -0.00479  -0.03671  -0.04152  -0.88588
   D154      -2.90542  -0.00033  -0.00283  -0.03428  -0.03712  -2.94254
   D155      -0.82552  -0.00018  -0.00446  -0.03940  -0.04387  -0.86939
   D156       1.27217  -0.00024  -0.00377  -0.03733  -0.04110   1.23107
   D157       2.14833  -0.00034   0.00310   0.01186   0.01495   2.16329
   D158      -1.01847  -0.00036   0.00317   0.01096   0.01414  -1.00433
   D159       0.05787  -0.00012   0.00265   0.01540   0.01806   0.07593
   D160      -3.10893  -0.00014   0.00273   0.01450   0.01725  -3.09168
   D161      -2.00722   0.00066   0.00215   0.02240   0.02456  -1.98267
   D162       1.10916   0.00064   0.00222   0.02150   0.02374   1.13291
   D163       0.93343  -0.00040  -0.00135  -0.02371  -0.02512   0.90832
   D164      -1.19255  -0.00024  -0.00245  -0.02927  -0.03176  -1.22431
   D165       3.07837  -0.00024  -0.00117  -0.02011  -0.02133   3.05704
   D166       3.05621  -0.00007  -0.00008  -0.01238  -0.01248   3.04373
   D167       0.93022   0.00009  -0.00118  -0.01795  -0.01912   0.91110
   D168      -1.08205   0.00009   0.00010  -0.00879  -0.00869  -1.09074
   D169      -1.21121  -0.00019  -0.00138  -0.02240  -0.02378  -1.23499
   D170       2.94599  -0.00003  -0.00248  -0.02797  -0.03043   2.91556
   D171       0.93372  -0.00002  -0.00120  -0.01880  -0.01999   0.91373
   D172      -0.98222  -0.00003   0.00219   0.01971   0.02189  -0.96032
   D173       2.16817   0.00002   0.00349   0.03069   0.03422   2.20238
   D174       1.15019   0.00004   0.00323   0.02690   0.03010   1.18028
   D175      -1.98262   0.00010   0.00453   0.03788   0.04242  -1.94020
   D176      -3.11119  -0.00003   0.00189   0.01625   0.01814  -3.09305
   D177       0.03919   0.00002   0.00320   0.02723   0.03046   0.06965
   D178       0.02726   0.00000   0.00104   0.00761   0.00860   0.03586
   D179      -3.12993  -0.00001   0.00029   0.00269   0.00293  -3.12699
   D180      -3.12377  -0.00006  -0.00036  -0.00412  -0.00449  -3.12825
   D181       0.00223  -0.00007  -0.00111  -0.00904  -0.01015  -0.00792
   D182       0.29264  -0.00008  -0.02605  -0.26764  -0.29365  -0.00101
   D183      -1.67840  -0.00094  -0.02588  -0.28384  -0.30976  -1.98816
   D184       2.46240  -0.00084  -0.02674  -0.28701  -0.31369   2.14871
   D185      -2.81361  -0.00066  -0.01938  -0.33226  -0.35164   3.11794
   D186       1.49853  -0.00152  -0.01921  -0.34846  -0.36775   1.13078
   D187      -0.64385  -0.00142  -0.02007  -0.35163  -0.37168  -1.01553
   D188      -0.01706   0.00004  -0.00082  -0.00777  -0.00856  -0.02561
   D189       3.12738  -0.00001  -0.00012  -0.00385  -0.00393   3.12345
   D190      -3.13189   0.00004  -0.00084  -0.00667  -0.00749  -3.13938
   D191       0.01255  -0.00001  -0.00015  -0.00275  -0.00287   0.00968
   D192      -3.12598   0.00010  -0.00066   0.00782   0.00718  -3.11880
   D193       0.01855  -0.00008   0.00095   0.00122   0.00215   0.02070
   D194       0.03001   0.00011   0.00002   0.01234   0.01236   0.04236
   D195      -3.10865  -0.00007   0.00163   0.00574   0.00732  -3.10133
   D196       3.12050  -0.00011   0.00051  -0.00783  -0.00733   3.11317
   D197      -0.02399   0.00007  -0.00108  -0.00130  -0.00237  -0.02636
   D198      -0.02372  -0.00007  -0.00013  -0.01142  -0.01152  -0.03523
   D199       3.11498   0.00011  -0.00172  -0.00488  -0.00656   3.10842
         Item               Value     Threshold  Converged?
 Maximum Force            0.005252     0.000450     NO 
 RMS     Force            0.000629     0.000300     NO 
 Maximum Displacement     1.748404     0.001800     NO 
 RMS     Displacement     0.144882     0.001200     NO 
 Predicted change in Energy=-1.998174D-03
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C22H29FO5
 Framework group  C1[X(C22H29FO5)]
 Deg. of freedom   165
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          9           0        1.578620    0.093363   -1.407778
      2          8           0       -3.090904    0.395941   -1.839033
      3          8           0        0.369900   -2.208053    1.042856
      4          8           0       -4.883693   -0.062411    1.084567
      5          8           0       -5.683783   -2.372510   -0.123011
      6          8           0        6.508131   -0.134358   -1.344670
      7          6           0       -1.650286   -0.139883    0.150292
      8          6           0       -0.755428    1.129567   -0.025248
      9          6           0        0.625015    0.918924    0.614973
     10          6           0        1.342415   -0.262116   -0.098159
     11          6           0       -3.025743    0.392746   -0.402130
     12          6           0       -1.635657    2.283905    0.473248
     13          6           0       -1.000397   -1.280100   -0.657780
     14          6           0       -3.079236    1.913044    0.048238
     15          6           0        0.453735   -1.545773   -0.236505
     16          6           0        2.775444   -0.518092    0.510011
     17          6           0        1.470605    2.198035    0.561304
     18          6           0       -1.853378   -0.550501    1.615093
     19          6           0        2.885096    1.978128    1.102352
     20          6           0        3.545493    0.804165    0.439071
     21          6           0       -4.250442   -0.404155    0.119106
     22          6           0       -3.631064    2.820499   -1.044698
     23          6           0        2.720831   -0.940836    1.987392
     24          6           0        3.462792   -1.635372   -0.249838
     25          6           0        4.742216    0.905042   -0.153269
     26          6           0       -4.572234   -1.675294   -0.670566
     27          6           0        4.649899   -1.507769   -0.836783
     28          6           0        5.415484   -0.224269   -0.830065
     29          1           0       -0.616035    1.296291   -1.128089
     30          1           0        0.497004    0.602883    1.690879
     31          1           0       -1.561384    2.414990    1.563983
     32          1           0       -1.324477    3.245431    0.028263
     33          1           0       -1.031385   -1.036396   -1.740865
     34          1           0       -1.567668   -2.225236   -0.528354
     35          1           0       -3.759721    1.971885    0.938891
     36          1           0        0.933298   -2.246408   -0.954803
     37          1           0        0.970731    3.003447    1.136304
     38          1           0        1.529023    2.578829   -0.479390
     39          1           0       -2.314430    0.240986    2.214967
     40          1           0       -2.467729   -1.451134    1.717081
     41          1           0       -0.889707   -0.806603    2.095708
     42          1           0        2.861826    1.823322    2.203242
     43          1           0        3.483353    2.904487    0.962191
     44          1           0       -4.651049    2.530466   -1.330733
     45          1           0       -3.659703    3.865958   -0.726024
     46          1           0       -3.030334    2.755628   -1.965287
     47          1           0        2.063327   -0.283663    2.574847
     48          1           0        2.322894   -1.955429    2.113265
     49          1           0        3.720526   -0.917567    2.435436
     50          1           0       -2.712401   -0.424862   -2.233452
     51          1           0        2.916624   -2.578239   -0.260949
     52          1           0        0.999769   -2.954430    1.090795
     53          1           0        5.302582    1.842930   -0.195416
     54          1           0       -3.750268   -2.425366   -0.580465
     55          1           0       -4.761051   -1.445136   -1.735194
     56          1           0        5.150288   -2.319884   -1.369900
     57          1           0       -6.429641   -1.755687    0.071200
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.4224904      0.1027152      0.0942550
 Standard basis: VSTO-6G (5D, 7F)
 There are   141 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   141 basis functions,   846 primitive gaussians,   141 cartesian basis functions
    77 alpha electrons       77 beta electrons
       nuclear repulsion energy      1658.0684968875 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   141 RedAO= F  NBF=   141
 NBsUse=   141 1.00D-04 NBFU=   141
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=982442.
 SCF Done:  E(RPM6) = -0.409637487050     A.U. after   15 cycles
             Convg  =    0.6655D-08             -V/T =  0.9988
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        9           0.000132795   -0.001179827    0.001637746
      2        8          -0.000560680    0.001343933   -0.004883271
      3        8          -0.001108602   -0.000710608    0.001439287
      4        8          -0.003205354   -0.000467075    0.001222256
      5        8          -0.001164270    0.001566650    0.000616441
      6        8           0.002395650   -0.000676569    0.001075709
      7        6          -0.002154096   -0.000565178   -0.001325555
      8        6          -0.000439748    0.002867571    0.000122631
      9        6          -0.001446326    0.002288037   -0.002121596
     10        6           0.001254195    0.001126614   -0.000855212
     11        6           0.001061470   -0.005647505    0.002695235
     12        6           0.000829972   -0.001855783    0.001092616
     13        6          -0.003278549   -0.000791128   -0.000548406
     14        6          -0.002393300    0.007624922    0.001094848
     15        6           0.001189567   -0.000444632   -0.004854659
     16        6          -0.003199471   -0.002439795    0.000642863
     17        6          -0.001450928   -0.001471112    0.000994443
     18        6           0.004624431    0.000949737    0.001700466
     19        6           0.001160789   -0.000969144   -0.001376884
     20        6          -0.000773851    0.002061843   -0.000888474
     21        6           0.008173615    0.002844946    0.004234607
     22        6           0.000574642    0.002268903    0.000634602
     23        6          -0.001936949   -0.000043537   -0.000201951
     24        6          -0.002703652   -0.000669892   -0.001522138
     25        6           0.003653054   -0.001975384    0.002015561
     26        6           0.000627312   -0.001892031   -0.004347252
     27        6           0.005556475    0.000281784    0.003401260
     28        6          -0.005237240    0.001414664   -0.002838696
     29        1           0.000354682   -0.000181769   -0.000309080
     30        1          -0.000330321   -0.001846204    0.002865130
     31        1          -0.000641829    0.000281353   -0.000708912
     32        1           0.000272865    0.000275132   -0.000435147
     33        1           0.000320684    0.000309291   -0.000073307
     34        1          -0.000342509   -0.000768735   -0.000806690
     35        1           0.001521588    0.000254183    0.000767821
     36        1          -0.000234779    0.001273957    0.002025399
     37        1           0.000201756    0.000646862   -0.000253857
     38        1          -0.000215199    0.000011314    0.000333339
     39        1          -0.000552846    0.000007711    0.000369532
     40        1          -0.000598880    0.000162111    0.000490908
     41        1          -0.001490338   -0.000551620    0.001504568
     42        1          -0.000004020    0.000441781    0.000439461
     43        1          -0.000205726    0.000335871    0.000257062
     44        1           0.000507481    0.000202955   -0.000654349
     45        1           0.000274359   -0.000300282   -0.000270345
     46        1          -0.000032978   -0.000051151   -0.001003712
     47        1           0.000855476    0.000165510    0.000103553
     48        1           0.000055742    0.000225156   -0.000242252
     49        1           0.000531587    0.000055152   -0.000915048
     50        1           0.000564631   -0.002779305   -0.003361236
     51        1           0.000836538    0.001003612    0.000506767
     52        1           0.000446345   -0.000663983    0.000102712
     53        1          -0.000705518    0.000323609   -0.000365610
     54        1          -0.001493654   -0.002756353    0.001226983
     55        1          -0.000965763   -0.000070769    0.000812170
     56        1          -0.000987582    0.000258362   -0.000524620
     57        1           0.001877257   -0.001104155   -0.000737715
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.008173615 RMS     0.001882670

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.008626206 RMS     0.001138663
 Search for a local minimum.
 Step number   5 out of a maximum of  342
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Update second derivatives using D2CorX and points    4    5
 DE= -2.92D-03 DEPred=-2.00D-03 R= 1.46D+00
 SS=  1.41D+00  RLast= 1.16D+00 DXNew= 2.2145D+00 3.4890D+00
 Trust test= 1.46D+00 RLast= 1.16D+00 DXMaxT set to 2.21D+00
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.00076   0.00233   0.00243   0.00301   0.00424
     Eigenvalues ---    0.00433   0.00495   0.00550   0.00566   0.00700
     Eigenvalues ---    0.00722   0.00980   0.01095   0.01228   0.01283
     Eigenvalues ---    0.01327   0.01424   0.01462   0.01475   0.01633
     Eigenvalues ---    0.01713   0.01777   0.02091   0.02240   0.02300
     Eigenvalues ---    0.02407   0.03011   0.03346   0.03668   0.03758
     Eigenvalues ---    0.03902   0.03991   0.04257   0.04358   0.04508
     Eigenvalues ---    0.04640   0.04796   0.04907   0.04939   0.04971
     Eigenvalues ---    0.05093   0.05153   0.05304   0.05336   0.05347
     Eigenvalues ---    0.05388   0.05406   0.05475   0.05519   0.05603
     Eigenvalues ---    0.05843   0.05925   0.06066   0.06215   0.06525
     Eigenvalues ---    0.06868   0.06999   0.07098   0.07184   0.07262
     Eigenvalues ---    0.07400   0.07853   0.08114   0.08240   0.08273
     Eigenvalues ---    0.08315   0.08429   0.09272   0.09299   0.10686
     Eigenvalues ---    0.11242   0.11807   0.11924   0.12862   0.13452
     Eigenvalues ---    0.13747   0.14543   0.15007   0.15484   0.15753
     Eigenvalues ---    0.15981   0.15994   0.15998   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16066   0.16151   0.16269   0.16563
     Eigenvalues ---    0.16870   0.18142   0.19178   0.19592   0.20620
     Eigenvalues ---    0.21867   0.22179   0.22567   0.23192   0.24573
     Eigenvalues ---    0.24913   0.24933   0.25001   0.25469   0.26410
     Eigenvalues ---    0.26654   0.26702   0.27236   0.27711   0.28090
     Eigenvalues ---    0.28309   0.28536   0.28826   0.29042   0.29575
     Eigenvalues ---    0.29695   0.30080   0.30542   0.31384   0.32195
     Eigenvalues ---    0.33252   0.33597   0.33863   0.33887   0.33910
     Eigenvalues ---    0.33987   0.34045   0.34066   0.34094   0.34122
     Eigenvalues ---    0.34200   0.34214   0.34232   0.34245   0.34250
     Eigenvalues ---    0.34277   0.34288   0.34297   0.34357   0.34418
     Eigenvalues ---    0.34451   0.34612   0.34648   0.34958   0.35068
     Eigenvalues ---    0.35399   0.35531   0.37058   0.37076   0.42453
     Eigenvalues ---    0.44855   0.47844   0.51007   0.52894   0.53030
     Eigenvalues ---    0.53500   0.55265   0.58997   0.88857   0.92662
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.00000
 RFO step:  Lambda=-2.93578948D-03 EMin= 7.56730735D-04
 Quartic linear search produced a step of  0.25487.
 Iteration  1 RMS(Cart)=  0.07169066 RMS(Int)=  0.01075318
 Iteration  2 RMS(Cart)=  0.01600257 RMS(Int)=  0.00035955
 Iteration  3 RMS(Cart)=  0.00057375 RMS(Int)=  0.00010569
 Iteration  4 RMS(Cart)=  0.00000083 RMS(Int)=  0.00010569
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.60293   0.00183  -0.00034   0.00273   0.00239   2.60532
    R2        2.71815  -0.00832   0.00211  -0.01108  -0.00897   2.70919
    R3        1.86361  -0.00327   0.00345  -0.00048   0.00296   1.86657
    R4        2.72698  -0.00192   0.00200  -0.00101   0.00099   2.72797
    R5        1.84779  -0.00021   0.00011  -0.00026  -0.00015   1.84764
    R6        2.27546   0.00094   0.00175   0.00477   0.00651   2.28198
    R7        2.68678  -0.00028  -0.00053  -0.00036  -0.00089   2.68589
    R8        1.86547  -0.00065   0.00176   0.00108   0.00285   1.86831
    R9        2.28866   0.00266  -0.00074   0.00193   0.00119   2.28986
   R10        2.95371  -0.00243   0.00100  -0.00539  -0.00441   2.94931
   R11        2.97639  -0.00440   0.00209  -0.00933  -0.00727   2.96912
   R12        2.91253  -0.00337  -0.00005  -0.00726  -0.00729   2.90524
   R13        2.90028  -0.00410   0.00068  -0.00921  -0.00853   2.89176
   R14        2.90298  -0.00295   0.00171  -0.00540  -0.00370   2.89928
   R15        2.90047  -0.00065  -0.00166  -0.00104  -0.00267   2.89779
   R16        2.12414  -0.00024  -0.00123  -0.00298  -0.00421   2.11993
   R17        2.93855  -0.00073   0.00055   0.00014   0.00067   2.93922
   R18        2.89938   0.00021  -0.00122  -0.00095  -0.00217   2.89721
   R19        2.13283  -0.00314   0.00207  -0.00559  -0.00352   2.12931
   R20        2.96191  -0.00007  -0.00025  -0.00105  -0.00129   2.96062
   R21        2.98132  -0.00162   0.00163  -0.00490  -0.00326   2.97806
   R22        2.99806  -0.00863   0.00825  -0.01443  -0.00619   2.99187
   R23        2.93159  -0.00506   0.00040  -0.01098  -0.01057   2.92102
   R24        2.92883  -0.00053  -0.00204  -0.00147  -0.00349   2.92534
   R25        2.08076   0.00061  -0.00056   0.00052  -0.00004   2.08072
   R26        2.08674  -0.00036   0.00129   0.00075   0.00203   2.08877
   R27        2.90462   0.00039  -0.00359  -0.00080  -0.00438   2.90024
   R28        2.09872  -0.00013   0.00018  -0.00058  -0.00040   2.09832
   R29        2.09736  -0.00035   0.00050  -0.00068  -0.00018   2.09719
   R30        2.87989  -0.00261   0.00035  -0.00534  -0.00499   2.87490
   R31        2.12103  -0.00156   0.00000  -0.00450  -0.00450   2.11653
   R32        2.10161   0.00195  -0.00297  -0.00044  -0.00340   2.09821
   R33        2.89466  -0.00015   0.00065   0.00122   0.00186   2.89651
   R34        2.90573   0.00133  -0.00080   0.00146   0.00066   2.90638
   R35        2.86475   0.00166  -0.00045   0.00315   0.00269   2.86744
   R36        2.89188   0.00112  -0.00173   0.00075  -0.00097   2.89091
   R37        2.09512  -0.00046   0.00020  -0.00118  -0.00098   2.09414
   R38        2.09705   0.00030   0.00010   0.00045   0.00055   2.09760
   R39        2.06912   0.00006  -0.00035  -0.00045  -0.00080   2.06832
   R40        2.06920   0.00039  -0.00026   0.00049   0.00023   2.06943
   R41        2.09175  -0.00209   0.00155  -0.00313  -0.00158   2.09017
   R42        2.83727   0.00042  -0.00059   0.00032  -0.00027   2.83700
   R43        2.10131  -0.00041   0.00011  -0.00142  -0.00131   2.10000
   R44        2.10066  -0.00034   0.00038  -0.00080  -0.00042   2.10023
   R45        2.53053   0.00188  -0.00058   0.00192   0.00134   2.53188
   R46        2.89253  -0.00460  -0.00010  -0.01079  -0.01089   2.88165
   R47        2.07552  -0.00057   0.00020  -0.00110  -0.00090   2.07462
   R48        2.06608   0.00034  -0.00066  -0.00003  -0.00069   2.06539
   R49        2.08090  -0.00085   0.00096  -0.00077   0.00019   2.08110
   R50        2.07809  -0.00068   0.00057  -0.00105  -0.00047   2.07762
   R51        2.07319   0.00023   0.00021   0.00056   0.00076   2.07396
   R52        2.07067   0.00086  -0.00116   0.00035  -0.00080   2.06987
   R53        2.51412   0.00353  -0.00147   0.00317   0.00170   2.51583
   R54        2.05921   0.00045  -0.00083  -0.00026  -0.00108   2.05813
   R55        2.79442  -0.00041   0.00010  -0.00121  -0.00110   2.79332
   R56        2.06614  -0.00066   0.00093  -0.00051   0.00042   2.06655
   R57        2.10969  -0.00307   0.00130  -0.00577  -0.00447   2.10522
   R58        2.08903   0.00096  -0.00047   0.00099   0.00053   2.08956
   R59        2.82420  -0.00083   0.00120  -0.00117   0.00004   2.82424
   R60        2.06503  -0.00050   0.00068  -0.00048   0.00020   2.06523
    A1        1.96092  -0.00466   0.00382  -0.01454  -0.01073   1.95019
    A2        1.93517  -0.00061  -0.00115  -0.00425  -0.00540   1.92977
    A3        1.93912  -0.00290   0.00220  -0.00963  -0.00743   1.93169
    A4        1.75781  -0.00080   0.00396  -0.00406  -0.00014   1.75767
    A5        1.87607   0.00104  -0.00269   0.00469   0.00200   1.87807
    A6        1.98257   0.00031  -0.00176   0.00039  -0.00138   1.98120
    A7        2.02031  -0.00034  -0.00108  -0.00372  -0.00473   2.01558
    A8        1.88563   0.00132   0.00033   0.01031   0.01063   1.89626
    A9        1.93721  -0.00144   0.00127  -0.00732  -0.00607   1.93114
   A10        1.93510   0.00031  -0.00024   0.00139   0.00113   1.93623
   A11        1.81936   0.00001  -0.00019  -0.00412  -0.00435   1.81500
   A12        1.87722   0.00004  -0.00081   0.00383   0.00303   1.88025
   A13        2.07501  -0.00048   0.00235  -0.00054   0.00188   2.07689
   A14        1.89420   0.00007  -0.00148  -0.00322  -0.00471   1.88949
   A15        1.85274   0.00007   0.00018   0.00333   0.00349   1.85623
   A16        1.90455   0.00013   0.00068   0.00028   0.00093   1.90548
   A17        1.94589  -0.00034   0.00094  -0.00108  -0.00012   1.94577
   A18        1.91109  -0.00025   0.00097  -0.00284  -0.00187   1.90921
   A19        1.94216   0.00028  -0.00031   0.00201   0.00169   1.94385
   A20        1.85128   0.00029  -0.00312   0.00498   0.00187   1.85315
   A21        1.90636  -0.00008   0.00068  -0.00315  -0.00248   1.90388
   A22        1.89561  -0.00028  -0.00012  -0.00071  -0.00083   1.89478
   A23        1.79740   0.00066  -0.00212   0.00515   0.00304   1.80045
   A24        1.82619   0.00021  -0.00112   0.00351   0.00239   1.82858
   A25        1.98332  -0.00067   0.00134  -0.00231  -0.00100   1.98232
   A26        1.94497   0.00011  -0.00032  -0.00329  -0.00364   1.94133
   A27        2.00001   0.00006   0.00184  -0.00101   0.00085   2.00086
   A28        1.97217  -0.00083   0.00363  -0.00138   0.00229   1.97447
   A29        1.85451   0.00011   0.00134   0.00318   0.00454   1.85905
   A30        1.87656   0.00034   0.00090  -0.00094  -0.00005   1.87651
   A31        1.82755   0.00163  -0.00027   0.00132   0.00086   1.82841
   A32        1.97998  -0.00029  -0.00263   0.00076  -0.00187   1.97811
   A33        1.95008  -0.00097  -0.00278  -0.00282  -0.00554   1.94453
   A34        1.83914  -0.00224   0.00237  -0.00230  -0.00008   1.83907
   A35        1.95258   0.00109  -0.00149  -0.00248  -0.00394   1.94864
   A36        1.94162   0.00030   0.00009   0.00294   0.00306   1.94468
   A37        1.94224   0.00021   0.00215  -0.00275  -0.00055   1.94169
   A38        1.93941   0.00101  -0.00126   0.00498   0.00375   1.94317
   A39        1.85096  -0.00031  -0.00184  -0.00026  -0.00212   1.84884
   A40        1.96393  -0.00070   0.00069   0.00016   0.00081   1.96474
   A41        1.91474   0.00071  -0.00080   0.00395   0.00315   1.91789
   A42        1.93193  -0.00060  -0.00026  -0.00720  -0.00744   1.92449
   A43        1.90881  -0.00023   0.00169   0.00071   0.00241   1.91122
   A44        1.88009   0.00078  -0.00028   0.00084   0.00057   1.88066
   A45        1.86119   0.00009  -0.00110   0.00159   0.00048   1.86167
   A46        1.85015   0.00098  -0.00025  -0.00164  -0.00200   1.84815
   A47        1.95976  -0.00106   0.00172  -0.00384  -0.00206   1.95770
   A48        1.87124  -0.00004  -0.00135   0.00241   0.00108   1.87232
   A49        1.97300  -0.00033   0.00000  -0.00173  -0.00171   1.97128
   A50        1.91192  -0.00025   0.00128   0.00128   0.00260   1.91452
   A51        1.89477   0.00070  -0.00143   0.00370   0.00225   1.89702
   A52        1.90769  -0.00024   0.00300   0.00248   0.00549   1.91317
   A53        1.84144   0.00002  -0.00147  -0.00079  -0.00229   1.83915
   A54        1.88444   0.00043  -0.00257   0.00129  -0.00128   1.88317
   A55        2.00317  -0.00020   0.00058   0.00141   0.00197   2.00514
   A56        1.90549   0.00064  -0.00184   0.00053  -0.00129   1.90419
   A57        1.91752  -0.00063   0.00214  -0.00486  -0.00271   1.91481
   A58        1.87415   0.00052  -0.00116   0.00260   0.00143   1.87558
   A59        1.96355  -0.00074   0.00235  -0.00157   0.00078   1.96432
   A60        1.91581   0.00026  -0.00006   0.00047   0.00042   1.91623
   A61        1.87515   0.00016  -0.00156   0.00063  -0.00093   1.87422
   A62        1.96606  -0.00068   0.00110  -0.00184  -0.00074   1.96532
   A63        1.87032   0.00043  -0.00059  -0.00040  -0.00100   1.86932
   A64        1.95762  -0.00071   0.00251  -0.00064   0.00180   1.95942
   A65        1.91666   0.00003   0.00093  -0.00071   0.00023   1.91689
   A66        1.92612   0.00014  -0.00084  -0.00013  -0.00096   1.92516
   A67        1.91534   0.00016   0.00050  -0.00113  -0.00062   1.91472
   A68        1.90945   0.00040  -0.00138   0.00220   0.00084   1.91029
   A69        1.83468   0.00003  -0.00199   0.00049  -0.00151   1.83317
   A70        1.96623  -0.00021  -0.00057  -0.00281  -0.00338   1.96286
   A71        1.96405  -0.00063   0.00082  -0.00298  -0.00216   1.96189
   A72        1.94024  -0.00062   0.00095   0.00106   0.00201   1.94225
   A73        1.88314   0.00021   0.00122   0.00022   0.00143   1.88457
   A74        1.87126   0.00064   0.00034   0.00382   0.00417   1.87542
   A75        1.83145   0.00076  -0.00293   0.00126  -0.00167   1.82979
   A76        1.94199  -0.00001   0.00227   0.00166   0.00385   1.94584
   A77        1.92911  -0.00001   0.00055   0.00080   0.00136   1.93047
   A78        1.91041   0.00005  -0.00035  -0.00004  -0.00037   1.91004
   A79        1.91529  -0.00023  -0.00018  -0.00303  -0.00321   1.91208
   A80        1.93818   0.00000  -0.00025   0.00021  -0.00002   1.93816
   A81        1.82566   0.00021  -0.00229   0.00033  -0.00198   1.82368
   A82        2.01903  -0.00035   0.00122   0.00181   0.00296   2.02199
   A83        2.13504   0.00089  -0.00167   0.00117  -0.00051   2.13453
   A84        2.12892  -0.00055   0.00040  -0.00294  -0.00248   2.12643
   A85        2.13979   0.00027   0.00163   0.00299   0.00348   2.14327
   A86        2.13978  -0.00318   0.00230  -0.00697  -0.00579   2.13400
   A87        2.00338   0.00293  -0.00384   0.00596   0.00099   2.00438
   A88        1.94529  -0.00068   0.00178  -0.00056   0.00122   1.94651
   A89        1.94963  -0.00019   0.00012  -0.00144  -0.00132   1.94831
   A90        1.94651  -0.00044   0.00060  -0.00110  -0.00050   1.94601
   A91        1.87978   0.00051  -0.00001   0.00249   0.00247   1.88226
   A92        1.84767   0.00066  -0.00286   0.00056  -0.00230   1.84537
   A93        1.89051   0.00024   0.00018   0.00029   0.00047   1.89098
   A94        1.95003   0.00003   0.00036   0.00073   0.00109   1.95112
   A95        1.95776   0.00019  -0.00015   0.00092   0.00076   1.95852
   A96        1.93331   0.00072  -0.00150   0.00092  -0.00057   1.93273
   A97        1.84887   0.00000  -0.00146  -0.00039  -0.00185   1.84702
   A98        1.89059  -0.00056   0.00141  -0.00207  -0.00065   1.88994
   A99        1.87932  -0.00046   0.00145  -0.00030   0.00115   1.88047
   A100       2.15917   0.00023  -0.00102   0.00133   0.00027   2.15944
   A101       1.99936   0.00124  -0.00113   0.00463   0.00352   2.00288
   A102       2.12435  -0.00147   0.00215  -0.00599  -0.00383   2.12053
   A103       2.15533  -0.00080   0.00159  -0.00141   0.00015   2.15548
   A104       2.14088  -0.00016  -0.00007  -0.00164  -0.00170   2.13917
   A105       1.98681   0.00096  -0.00153   0.00308   0.00156   1.98837
   A106       1.95294  -0.00122   0.00173  -0.00182  -0.00017   1.95277
   A107       1.78755   0.00086   0.00114   0.00942   0.01049   1.79804
   A108       1.91713   0.00032  -0.00233  -0.00482  -0.00722   1.90991
   A109       1.94070   0.00025   0.00283   0.00433   0.00713   1.94783
   A110       1.93891  -0.00003  -0.00451  -0.00709  -0.01164   1.92726
   A111       1.92129  -0.00012   0.00169   0.00121   0.00294   1.92423
   A112       2.13824  -0.00114   0.00131  -0.00256  -0.00126   2.13697
   A113       2.15620  -0.00050   0.00186  -0.00156   0.00029   2.15650
   A114       1.98873   0.00163  -0.00317   0.00415   0.00098   1.98971
   A115       2.15141  -0.00133   0.00198  -0.00210  -0.00012   2.15129
   A116       2.12235  -0.00017  -0.00037  -0.00097  -0.00134   2.12101
   A117       2.00942   0.00150  -0.00161   0.00307   0.00146   2.01088
    D1        0.74654  -0.00165  -0.03355  -0.07452  -0.10802   0.63852
    D2        2.74100  -0.00005  -0.03127  -0.07174  -0.10307   2.63793
    D3       -1.45186  -0.00095  -0.03334  -0.07383  -0.10717  -1.55903
    D4       -1.72769  -0.00001   0.01823   0.03597   0.05420  -1.67350
    D5        2.39280   0.00036   0.01672   0.03335   0.05009   2.44289
    D6        0.34318   0.00087   0.01625   0.03875   0.05499   0.39817
    D7        0.81165  -0.00120  -0.04947  -0.09238  -0.14185   0.66979
    D8        2.89163  -0.00098  -0.04470  -0.08264  -0.12731   2.76432
    D9       -1.35034  -0.00054  -0.04317  -0.07847  -0.12167  -1.47201
   D10        3.01771  -0.00012  -0.00218   0.00800   0.00578   3.02349
   D11        0.76506   0.00027  -0.00482   0.01066   0.00575   0.77082
   D12       -1.19701   0.00017  -0.00461   0.00721   0.00255  -1.19446
   D13       -1.14396  -0.00046  -0.00257   0.00378   0.00121  -1.14275
   D14        2.88658  -0.00007  -0.00520   0.00644   0.00118   2.88777
   D15        0.92451  -0.00016  -0.00499   0.00299  -0.00202   0.92249
   D16        1.00624  -0.00134  -0.00412  -0.00188  -0.00598   1.00026
   D17       -1.24640  -0.00095  -0.00675   0.00078  -0.00601  -1.25241
   D18        3.07471  -0.00104  -0.00654  -0.00267  -0.00921   3.06550
   D19        1.39218  -0.00001   0.01558  -0.01159   0.00399   1.39617
   D20       -0.61850  -0.00070   0.01240  -0.01548  -0.00307  -0.62157
   D21       -2.74919  -0.00044   0.01761  -0.01334   0.00427  -2.74492
   D22       -0.62413  -0.00061   0.01678  -0.01302   0.00376  -0.62036
   D23       -2.63480  -0.00130   0.01360  -0.01692  -0.00330  -2.63810
   D24        1.51769  -0.00103   0.01881  -0.01477   0.00404   1.52173
   D25       -2.80810   0.00048   0.01562  -0.00897   0.00667  -2.80143
   D26        1.46442  -0.00021   0.01244  -0.01286  -0.00040   1.46402
   D27       -0.66628   0.00005   0.01765  -0.01072   0.00694  -0.65933
   D28        0.98700  -0.00003   0.00478  -0.00649  -0.00170   0.98530
   D29       -1.14226   0.00024   0.00271  -0.01033  -0.00760  -1.14986
   D30        3.09169   0.00006   0.00472  -0.01037  -0.00565   3.08604
   D31        2.93516  -0.00052   0.00735  -0.01043  -0.00310   2.93207
   D32        0.80590  -0.00025   0.00529  -0.01427  -0.00900   0.79691
   D33       -1.24333  -0.00043   0.00729  -0.01432  -0.00704  -1.25038
   D34       -1.19079  -0.00019   0.00801  -0.00544   0.00258  -1.18821
   D35        2.96314   0.00008   0.00595  -0.00928  -0.00332   2.95982
   D36        0.91390  -0.00010   0.00795  -0.00933  -0.00137   0.91253
   D37        1.02546   0.00008  -0.02530   0.00484  -0.02048   1.00498
   D38       -3.12398  -0.00029  -0.02349   0.00076  -0.02275   3.13645
   D39       -1.07536  -0.00016  -0.02602   0.00112  -0.02492  -1.10028
   D40       -0.90890   0.00010  -0.02938   0.00344  -0.02591  -0.93481
   D41        1.22484  -0.00027  -0.02757  -0.00064  -0.02818   1.19667
   D42       -3.00972  -0.00014  -0.03010  -0.00028  -0.03035  -3.04007
   D43       -3.14138   0.00058  -0.02913   0.00580  -0.02334   3.11846
   D44       -1.00764   0.00021  -0.02732   0.00172  -0.02561  -1.03325
   D45        1.04098   0.00034  -0.02985   0.00208  -0.02778   1.01320
   D46        1.07764  -0.00007  -0.00212  -0.00090  -0.00303   1.07460
   D47       -3.05323   0.00015  -0.00140   0.00111  -0.00031  -3.05355
   D48       -0.94161  -0.00034   0.00070  -0.00545  -0.00475  -0.94636
   D49       -3.09827  -0.00015  -0.00079  -0.00579  -0.00660  -3.10487
   D50       -0.94595   0.00007  -0.00008  -0.00377  -0.00388  -0.94983
   D51        1.16567  -0.00043   0.00203  -0.01034  -0.00831   1.15735
   D52       -0.98052  -0.00035  -0.00008  -0.00441  -0.00451  -0.98503
   D53        1.17179  -0.00013   0.00063  -0.00239  -0.00179   1.17000
   D54       -2.99977  -0.00062   0.00273  -0.00896  -0.00622  -3.00600
   D55       -0.61744   0.00005  -0.00410  -0.00346  -0.00757  -0.62501
   D56        1.49557  -0.00049  -0.00082  -0.00966  -0.01049   1.48508
   D57       -2.72095   0.00004  -0.00409  -0.00966  -0.01373  -2.73468
   D58       -2.78249  -0.00005  -0.00520  -0.00149  -0.00670  -2.78919
   D59       -0.66948  -0.00059  -0.00192  -0.00769  -0.00963  -0.67911
   D60        1.39718  -0.00006  -0.00519  -0.00769  -0.01287   1.38432
   D61        1.36217   0.00013  -0.00501   0.00040  -0.00464   1.35753
   D62       -2.80800  -0.00041  -0.00173  -0.00580  -0.00757  -2.81557
   D63       -0.74134   0.00012  -0.00500  -0.00580  -0.01081  -0.75214
   D64        1.12995   0.00012   0.00439   0.00291   0.00730   1.13725
   D65       -0.85908  -0.00015   0.00631  -0.00167   0.00464  -0.85444
   D66        3.13265   0.00027   0.00279   0.00491   0.00770   3.14035
   D67       -1.02459   0.00027   0.00293   0.00273   0.00566  -1.01893
   D68       -3.01361   0.00001   0.00485  -0.00185   0.00300  -3.01061
   D69        0.97812   0.00042   0.00134   0.00473   0.00606   0.98418
   D70       -3.09598   0.00004   0.00417   0.00243   0.00659  -3.08939
   D71        1.19818  -0.00022   0.00609  -0.00215   0.00394   1.20212
   D72       -1.09327   0.00019   0.00258   0.00443   0.00699  -1.08628
   D73       -3.06882  -0.00029   0.00201  -0.00242  -0.00037  -3.06920
   D74        1.07969  -0.00003  -0.00097  -0.00003  -0.00097   1.07872
   D75       -0.93497  -0.00017   0.00138  -0.00013   0.00127  -0.93370
   D76       -0.93806  -0.00016   0.00333  -0.00139   0.00195  -0.93612
   D77       -3.07273   0.00009   0.00035   0.00100   0.00135  -3.07139
   D78        1.19579  -0.00005   0.00270   0.00089   0.00359   1.19938
   D79        1.09999   0.00031  -0.00026   0.00395   0.00370   1.10369
   D80       -1.03468   0.00056  -0.00323   0.00634   0.00310  -1.03158
   D81       -3.04934   0.00042  -0.00088   0.00624   0.00534  -3.04400
   D82        2.91950   0.00071  -0.00460  -0.00258  -0.00717   2.91232
   D83       -1.29949   0.00043  -0.00398  -0.00091  -0.00489  -1.30438
   D84        0.86177  -0.00005  -0.00218  -0.00588  -0.00806   0.85371
   D85       -1.31670   0.00046  -0.00537  -0.00140  -0.00679  -1.32349
   D86        0.74750   0.00018  -0.00476   0.00026  -0.00451   0.74299
   D87        2.90876  -0.00030  -0.00296  -0.00470  -0.00767   2.90109
   D88        0.94737   0.00004  -0.00284  -0.00936  -0.01222   0.93516
   D89        3.01157  -0.00024  -0.00222  -0.00769  -0.00993   3.00164
   D90       -1.11035  -0.00072  -0.00043  -0.01266  -0.01310  -1.12345
   D91        1.08825  -0.00033  -0.00346  -0.00147  -0.00493   1.08333
   D92       -3.13534  -0.00022  -0.00475   0.00005  -0.00471  -3.14004
   D93       -1.05444   0.00002  -0.00404  -0.00115  -0.00518  -1.05962
   D94       -0.95702  -0.00017  -0.00252  -0.00102  -0.00352  -0.96054
   D95        1.10257  -0.00007  -0.00380   0.00050  -0.00330   1.09928
   D96       -3.09971   0.00018  -0.00309  -0.00070  -0.00377  -3.10349
   D97        3.04330   0.00062  -0.00579   0.00631   0.00055   3.04385
   D98       -1.18030   0.00072  -0.00708   0.00783   0.00077  -1.17952
   D99        0.90060   0.00097  -0.00637   0.00663   0.00030   0.90090
   D100      -1.83212   0.00052  -0.01975   0.01195  -0.00779  -1.83991
   D101       0.33026   0.00012  -0.01885   0.00628  -0.01256   0.31769
   D102       2.40987   0.00034  -0.02046   0.01013  -0.01031   2.39956
   D103       0.25916   0.00042  -0.01513   0.01251  -0.00259   0.25656
   D104       2.42154   0.00002  -0.01423   0.00684  -0.00736   2.41417
   D105      -1.78203   0.00024  -0.01583   0.01069  -0.00512  -1.78715
   D106       2.40928   0.00056  -0.02016   0.01267  -0.00748   2.40180
   D107      -1.71153   0.00016  -0.01927   0.00701  -0.01225  -1.72378
   D108       0.36808   0.00038  -0.02087   0.01085  -0.01000   0.35808
   D109      -2.44136   0.00008  -0.05699  -0.01531  -0.07218  -2.51354
   D110       0.72288  -0.00108  -0.04220  -0.11102  -0.15333   0.56955
   D111       1.64807   0.00109  -0.06055  -0.01333  -0.07381   1.57426
   D112      -1.47088  -0.00006  -0.04575  -0.10905  -0.15495  -1.62583
   D113      -0.41294  -0.00012  -0.05635  -0.01357  -0.06977  -0.48271
   D114       2.75130  -0.00127  -0.04156  -0.10928  -0.15092   2.60038
   D115       0.21578  -0.00005   0.01175  -0.00494   0.00684   0.22263
   D116      -1.93830   0.00080   0.00976   0.00209   0.01188  -1.92642
   D117       2.22945   0.00030   0.01067  -0.00237   0.00831   2.23776
   D118      -1.90397  -0.00010   0.01090   0.00105   0.01197  -1.89201
   D119       2.22514   0.00076   0.00892   0.00808   0.01700   2.24214
   D120       0.10970   0.00026   0.00982   0.00361   0.01343   0.12313
   D121       2.32073  -0.00050   0.01263  -0.00008   0.01255   2.33328
   D122       0.16666   0.00035   0.01064   0.00695   0.01759   0.18424
   D123      -1.94878  -0.00015   0.01155   0.00249   0.01401  -1.93477
   D124       1.28350  -0.00044   0.00169   0.00748   0.00916   1.29267
   D125      -0.81766  -0.00003  -0.00138   0.00409   0.00273  -0.81494
   D126      -2.97251  -0.00023  -0.00105   0.00620   0.00514  -2.96737
   D127      -2.86706  -0.00018   0.00233   0.01314   0.01546  -2.85160
   D128       1.31495   0.00023  -0.00074   0.00976   0.00903   1.32398
   D129      -0.83989   0.00003  -0.00042   0.01186   0.01144  -0.82846
   D130      -0.85073   0.00023   0.00176   0.01585   0.01760  -0.83313
   D131      -2.95190   0.00064  -0.00131   0.01246   0.01117  -2.94073
   D132       1.17644   0.00044  -0.00098   0.01456   0.01358   1.19002
   D133       1.04209  -0.00015   0.00795   0.00866   0.01664   1.05873
   D134      -3.13729  -0.00011   0.00924   0.01046   0.01974  -3.11755
   D135      -1.01887  -0.00025   0.00999   0.00904   0.01906  -0.99980
   D136       3.13439   0.00012   0.00887   0.00249   0.01133  -3.13747
   D137      -1.04499   0.00015   0.01017   0.00430   0.01443  -1.03056
   D138       1.07343   0.00002   0.01091   0.00288   0.01375   1.08719
   D139      -1.02368   0.00008   0.00950   0.00559   0.01510  -1.00859
   D140       1.08012   0.00012   0.01079   0.00740   0.01819   1.09832
   D141      -3.08464  -0.00002   0.01154   0.00598   0.01752  -3.06712
   D142       0.97091  -0.00014  -0.00124  -0.00413  -0.00537   0.96554
   D143      -2.19188  -0.00012  -0.00438  -0.00239  -0.00677  -2.19865
   D144      -1.14520   0.00036  -0.00250  -0.00406  -0.00657  -1.15177
   D145       1.97520   0.00038  -0.00564  -0.00232  -0.00797   1.96723
   D146       3.08223   0.00012  -0.00142  -0.00291  -0.00433   3.07790
   D147      -0.08056   0.00014  -0.00456  -0.00117  -0.00573  -0.08629
   D148      -0.83531  -0.00025  -0.00852  -0.01940  -0.02790  -0.86322
   D149       1.23784  -0.00009  -0.01024  -0.01878  -0.02900   1.20884
   D150      -2.94488  -0.00005  -0.00953  -0.01790  -0.02741  -2.97230
   D151       1.22369   0.00007  -0.00957  -0.01671  -0.02629   1.19740
   D152      -2.98634   0.00022  -0.01129  -0.01609  -0.02739  -3.01373
   D153      -0.88588   0.00027  -0.01058  -0.01521  -0.02580  -0.91168
   D154      -2.94254  -0.00041  -0.00946  -0.01876  -0.02823  -2.97077
   D155      -0.86939  -0.00026  -0.01118  -0.01815  -0.02933  -0.89872
   D156       1.23107  -0.00021  -0.01047  -0.01726  -0.02774   1.20333
   D157       2.16329   0.00026   0.00381   0.00460   0.00841   2.17169
   D158      -1.00433   0.00022   0.00360   0.00309   0.00669  -0.99764
   D159       0.07593  -0.00014   0.00460   0.00218   0.00679   0.08272
   D160      -3.09168  -0.00017   0.00440   0.00067   0.00507  -3.08661
   D161      -1.98267  -0.00022   0.00626   0.00272   0.00898  -1.97368
   D162       1.13291  -0.00026   0.00605   0.00121   0.00726   1.14017
   D163       0.90832  -0.00001  -0.00640  -0.00644  -0.01287   0.89545
   D164      -1.22431   0.00030  -0.00810  -0.00427  -0.01238  -1.23669
   D165       3.05704   0.00002  -0.00544  -0.00509  -0.01054   3.04649
   D166       3.04373  -0.00033  -0.00318  -0.00860  -0.01179   3.03194
   D167       0.91110  -0.00003  -0.00487  -0.00643  -0.01130   0.89980
   D168      -1.09074  -0.00031  -0.00221  -0.00724  -0.00946  -1.10020
   D169      -1.23499   0.00002  -0.00606  -0.00740  -0.01347  -1.24846
   D170       2.91556   0.00033  -0.00775  -0.00523  -0.01298   2.90259
   D171       0.91373   0.00005  -0.00510  -0.00605  -0.01114   0.90258
   D172      -0.96032   0.00022   0.00558   0.00950   0.01509  -0.94524
   D173       2.20238   0.00018   0.00872   0.00771   0.01645   2.21883
   D174       1.18028   0.00004   0.00767   0.00953   0.01719   1.19747
   D175      -1.94020   0.00000   0.01081   0.00774   0.01855  -1.92165
   D176      -3.09305   0.00016   0.00462   0.00825   0.01287  -3.08018
   D177       0.06965   0.00012   0.00776   0.00646   0.01424   0.08389
   D178       0.03586  -0.00012   0.00219  -0.00318  -0.00099   0.03486
   D179      -3.12699   0.00002   0.00075  -0.00098  -0.00024  -3.12723
   D180      -3.12825  -0.00009  -0.00114  -0.00127  -0.00241  -3.13066
   D181      -0.00792   0.00004  -0.00259   0.00093  -0.00165  -0.00957
   D182      -0.00101  -0.00123  -0.07484  -0.18540  -0.26011  -0.26112
   D183      -1.98816  -0.00171  -0.07895  -0.19857  -0.27742  -2.26558
   D184       2.14871  -0.00171  -0.07995  -0.19816  -0.27793   1.87078
   D185       3.11794  -0.00002  -0.08962  -0.08954  -0.17931   2.93863
   D186       1.13078  -0.00051  -0.09373  -0.10272  -0.19662   0.93417
   D187      -1.01553  -0.00051  -0.09473  -0.10230  -0.19713  -1.21266
   D188      -0.02561   0.00009  -0.00218   0.00115  -0.00103  -0.02664
   D189       3.12345  -0.00002  -0.00100  -0.00225  -0.00324   3.12021
   D190      -3.13938   0.00009  -0.00191   0.00261   0.00069  -3.13869
   D191       0.00968  -0.00002  -0.00073  -0.00079  -0.00152   0.00816
   D192      -3.11880   0.00004   0.00183   0.00160   0.00344  -3.11535
   D193       0.02070   0.00015   0.00055   0.00648   0.00703   0.02772
   D194       0.04236  -0.00007   0.00315  -0.00037   0.00278   0.04514
   D195      -3.10133   0.00003   0.00187   0.00450   0.00636  -3.09497
   D196       3.11317   0.00000  -0.00187  -0.00062  -0.00248   3.11069
   D197      -0.02636  -0.00010  -0.00060  -0.00540  -0.00600  -0.03236
   D198      -0.03523   0.00009  -0.00294   0.00246  -0.00047  -0.03570
   D199       3.10842  -0.00001  -0.00167  -0.00232  -0.00399   3.10444
         Item               Value     Threshold  Converged?
 Maximum Force            0.008626     0.000450     NO 
 RMS     Force            0.001139     0.000300     NO 
 Maximum Displacement     0.816973     0.001800     NO 
 RMS     Displacement     0.080775     0.001200     NO 
 Predicted change in Energy=-2.251968D-03
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C22H29FO5
 Framework group  C1[X(C22H29FO5)]
 Deg. of freedom   165
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          9           0        1.576103    0.099842   -1.417594
      2          8           0       -3.094090    0.383514   -1.828305
      3          8           0        0.372222   -2.216492    1.029053
      4          8           0       -4.829548   -0.109366    1.140650
      5          8           0       -5.628156   -2.403358   -0.111001
      6          8           0        6.521326   -0.144797   -1.319078
      7          6           0       -1.649461   -0.142063    0.154203
      8          6           0       -0.759545    1.127810   -0.022637
      9          6           0        0.623446    0.920325    0.608356
     10          6           0        1.339896   -0.259919   -0.107812
     11          6           0       -3.023283    0.385259   -0.396417
     12          6           0       -1.643600    2.273628    0.484323
     13          6           0       -1.004445   -1.278400   -0.655887
     14          6           0       -3.083687    1.901462    0.055353
     15          6           0        0.450537   -1.542386   -0.245064
     16          6           0        2.770113   -0.514462    0.503098
     17          6           0        1.464174    2.201153    0.552132
     18          6           0       -1.835252   -0.558820    1.614841
     19          6           0        2.882418    1.987444    1.084310
     20          6           0        3.542621    0.807484    0.431892
     21          6           0       -4.239835   -0.409504    0.130512
     22          6           0       -3.628586    2.805575   -1.040146
     23          6           0        2.713654   -0.934662    1.981497
     24          6           0        3.459943   -1.634564   -0.253187
     25          6           0        4.744891    0.903587   -0.151551
     26          6           0       -4.691707   -1.557781   -0.765365
     27          6           0        4.653275   -1.511287   -0.830395
     28          6           0        5.422362   -0.229924   -0.815744
     29          1           0       -0.621941    1.298044   -1.122894
     30          1           0        0.500794    0.607049    1.683742
     31          1           0       -1.570223    2.390548    1.576707
     32          1           0       -1.333728    3.243412    0.053912
     33          1           0       -1.046339   -1.040565   -1.739690
     34          1           0       -1.572328   -2.221385   -0.514791
     35          1           0       -3.767643    1.957793    0.940492
     36          1           0        0.924218   -2.237159   -0.970140
     37          1           0        0.965142    3.004067    1.130352
     38          1           0        1.513665    2.584015   -0.488575
     39          1           0       -2.271911    0.238164    2.224835
     40          1           0       -2.466233   -1.447868    1.718263
     41          1           0       -0.870988   -0.840411    2.077756
     42          1           0        2.869230    1.844032    2.186212
     43          1           0        3.478182    2.913138    0.931487
     44          1           0       -4.651240    2.524017   -1.323276
     45          1           0       -3.643846    3.852822   -0.727740
     46          1           0       -3.031311    2.727555   -1.962083
     47          1           0        2.077960   -0.260633    2.573375
     48          1           0        2.288624   -1.938092    2.111734
     49          1           0        3.716235   -0.936992    2.422598
     50          1           0       -2.626784   -0.395200   -2.216731
     51          1           0        2.913911   -2.576746   -0.270869
     52          1           0        1.036817   -2.931759    1.080644
     53          1           0        5.305638    1.841522   -0.193286
     54          1           0       -3.850836   -2.249504   -1.001019
     55          1           0       -5.138426   -1.166646   -1.698172
     56          1           0        5.156201   -2.325612   -1.357943
     57          1           0       -6.249365   -1.871922    0.445006
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.4239145      0.1027500      0.0943842
 Standard basis: VSTO-6G (5D, 7F)
 There are   141 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   141 basis functions,   846 primitive gaussians,   141 cartesian basis functions
    77 alpha electrons       77 beta electrons
       nuclear repulsion energy      1659.0747593496 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   141 RedAO= F  NBF=   141
 NBsUse=   141 1.00D-04 NBFU=   141
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=982442.
 SCF Done:  E(RPM6) = -0.411745251054     A.U. after   15 cycles
             Convg  =    0.6251D-08             -V/T =  0.9988
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        9          -0.000100659   -0.000633924    0.000530294
      2        8          -0.000484564    0.002597199   -0.002421576
      3        8          -0.001024578   -0.000947975    0.002273028
      4        8          -0.000273506    0.002541473    0.000871377
      5        8          -0.001691936    0.001739025   -0.000635362
      6        8           0.001689845   -0.000659924    0.000560180
      7        6          -0.000406758   -0.000674034   -0.000709954
      8        6           0.000205204    0.002059363    0.000735620
      9        6          -0.000857450    0.002407684   -0.002539145
     10        6           0.001056557    0.000073164   -0.000735064
     11        6           0.001365573   -0.005775752   -0.001116841
     12        6           0.001898459   -0.003786217    0.000286065
     13        6          -0.003202617    0.000876570    0.000393694
     14        6          -0.002036757    0.006522333    0.000706730
     15        6           0.001838905   -0.000427454   -0.004689432
     16        6          -0.001896328   -0.001999530    0.000946725
     17        6          -0.001030869   -0.001924288    0.001634504
     18        6           0.003168533    0.001117940   -0.000253377
     19        6           0.001303012   -0.000645377   -0.001377884
     20        6          -0.000254757    0.002472501   -0.000210172
     21        6           0.000817226   -0.003166158    0.006243788
     22        6          -0.000038966    0.001320548    0.001789090
     23        6          -0.002017041   -0.000097353    0.000047402
     24        6          -0.001734588   -0.001291035   -0.001235846
     25        6           0.002840046   -0.001948745    0.001399812
     26        6           0.004041428    0.001263896   -0.004663579
     27        6           0.004564125    0.000017819    0.002462464
     28        6          -0.004361557    0.001507833   -0.001837833
     29        1           0.000155534   -0.000463689    0.000947281
     30        1          -0.000248624   -0.001389759    0.001886563
     31        1          -0.000709624   -0.000021300   -0.001016340
     32        1           0.000015738    0.000839873   -0.000447072
     33        1           0.000337756    0.000380453    0.000457508
     34        1          -0.000331247    0.000226336   -0.000614675
     35        1           0.000975828   -0.000227294   -0.000401619
     36        1           0.000458147    0.002120748    0.002556138
     37        1           0.000031644    0.000388980   -0.000442006
     38        1          -0.000028454    0.000020193    0.000288873
     39        1          -0.000832082    0.000040776   -0.000262017
     40        1          -0.000861207    0.000322685    0.000101589
     41        1          -0.001169192   -0.000775845    0.000899520
     42        1          -0.000223225    0.000465200   -0.000056030
     43        1          -0.000094545    0.000188774    0.000397799
     44        1           0.000156162    0.000087309   -0.000607245
     45        1           0.000044575   -0.000646065   -0.000092777
     46        1           0.000072485   -0.000284658   -0.000828645
     47        1           0.000814918    0.000022926    0.000125559
     48        1           0.000228646    0.000267954   -0.000166231
     49        1           0.000733329    0.000041374   -0.001008000
     50        1          -0.000034912   -0.002407451   -0.001592607
     51        1           0.000419191    0.001003985    0.000327470
     52        1           0.000755009   -0.000168541   -0.000493516
     53        1          -0.000644320    0.000491344   -0.000299712
     54        1          -0.002419465   -0.001741346    0.001082762
     55        1          -0.000466601   -0.000425003    0.001703149
     56        1          -0.001093893    0.000129865   -0.000476524
     57        1           0.000582450   -0.001027405   -0.000423901
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.006522333 RMS     0.001646835

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.004932012 RMS     0.000783364
 Search for a local minimum.
 Step number   6 out of a maximum of  342
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Update second derivatives using D2CorX and points    5    6
 DE= -2.11D-03 DEPred=-2.25D-03 R= 9.36D-01
 SS=  1.41D+00  RLast= 7.33D-01 DXNew= 3.7243D+00 2.2004D+00
 Trust test= 9.36D-01 RLast= 7.33D-01 DXMaxT set to 2.21D+00
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.00169   0.00235   0.00240   0.00287   0.00423
     Eigenvalues ---    0.00431   0.00503   0.00553   0.00580   0.00696
     Eigenvalues ---    0.00724   0.01079   0.01136   0.01174   0.01323
     Eigenvalues ---    0.01368   0.01424   0.01459   0.01491   0.01641
     Eigenvalues ---    0.01712   0.01778   0.02091   0.02240   0.02298
     Eigenvalues ---    0.02395   0.02999   0.03314   0.03568   0.03715
     Eigenvalues ---    0.03901   0.03985   0.04231   0.04335   0.04489
     Eigenvalues ---    0.04654   0.04792   0.04906   0.04933   0.04958
     Eigenvalues ---    0.05077   0.05163   0.05283   0.05328   0.05342
     Eigenvalues ---    0.05385   0.05395   0.05434   0.05515   0.05586
     Eigenvalues ---    0.05766   0.05925   0.06034   0.06199   0.06525
     Eigenvalues ---    0.06813   0.06953   0.07094   0.07192   0.07273
     Eigenvalues ---    0.07400   0.07716   0.08110   0.08225   0.08279
     Eigenvalues ---    0.08333   0.08445   0.09083   0.09315   0.10634
     Eigenvalues ---    0.11251   0.11799   0.11949   0.12863   0.13321
     Eigenvalues ---    0.13663   0.14434   0.14827   0.15053   0.15728
     Eigenvalues ---    0.15989   0.15994   0.15998   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16037   0.16067   0.16146   0.16250   0.16325
     Eigenvalues ---    0.16646   0.18024   0.19208   0.19556   0.20601
     Eigenvalues ---    0.21338   0.21906   0.22412   0.22840   0.24133
     Eigenvalues ---    0.24656   0.24891   0.24992   0.25118   0.25592
     Eigenvalues ---    0.26585   0.26689   0.26999   0.27506   0.27803
     Eigenvalues ---    0.28176   0.28353   0.28540   0.29004   0.29190
     Eigenvalues ---    0.29646   0.29812   0.30553   0.31216   0.32260
     Eigenvalues ---    0.33273   0.33433   0.33784   0.33875   0.33933
     Eigenvalues ---    0.33960   0.34002   0.34055   0.34068   0.34097
     Eigenvalues ---    0.34130   0.34207   0.34220   0.34239   0.34248
     Eigenvalues ---    0.34278   0.34281   0.34289   0.34311   0.34357
     Eigenvalues ---    0.34429   0.34494   0.34619   0.34889   0.35071
     Eigenvalues ---    0.35159   0.35407   0.35545   0.37541   0.42279
     Eigenvalues ---    0.42533   0.47808   0.48105   0.52785   0.52967
     Eigenvalues ---    0.53515   0.53842   0.57867   0.88976   0.92334
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.00000
 RFO step:  Lambda=-2.34691873D-03 EMin= 1.68866629D-03
 Quartic linear search produced a step of  0.29388.
 Iteration  1 RMS(Cart)=  0.05080717 RMS(Int)=  0.00158261
 Iteration  2 RMS(Cart)=  0.00245410 RMS(Int)=  0.00011334
 Iteration  3 RMS(Cart)=  0.00000282 RMS(Int)=  0.00011333
 Iteration  4 RMS(Cart)=  0.00000000 RMS(Int)=  0.00011333
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.60532   0.00062   0.00070   0.00319   0.00389   2.60921
    R2        2.70919  -0.00397  -0.00263  -0.01517  -0.01780   2.69138
    R3        1.86657  -0.00248   0.00087  -0.00683  -0.00596   1.86062
    R4        2.72797  -0.00206   0.00029  -0.00720  -0.00691   2.72107
    R5        1.84764   0.00046  -0.00004   0.00071   0.00066   1.84831
    R6        2.28198  -0.00133   0.00191   0.00278   0.00470   2.28667
    R7        2.68589   0.00166  -0.00026   0.00553   0.00527   2.69116
    R8        1.86831   0.00042   0.00084   0.00071   0.00155   1.86986
    R9        2.28986   0.00181   0.00035   0.00444   0.00479   2.29465
   R10        2.94931  -0.00026  -0.00130  -0.00261  -0.00401   2.94530
   R11        2.96912  -0.00092  -0.00214  -0.00796  -0.01025   2.95886
   R12        2.90524   0.00039  -0.00214   0.00024  -0.00194   2.90330
   R13        2.89176  -0.00037  -0.00251  -0.00478  -0.00728   2.88447
   R14        2.89928  -0.00104  -0.00109  -0.00690  -0.00801   2.89127
   R15        2.89779   0.00092  -0.00078   0.00674   0.00601   2.90380
   R16        2.11993   0.00099  -0.00124   0.00102  -0.00022   2.11971
   R17        2.93922  -0.00002   0.00020   0.00042   0.00063   2.93986
   R18        2.89721   0.00095  -0.00064   0.00523   0.00459   2.90180
   R19        2.12931  -0.00209  -0.00104  -0.01231  -0.01334   2.11597
   R20        2.96062   0.00084  -0.00038   0.00206   0.00173   2.96234
   R21        2.97806  -0.00093  -0.00096  -0.00889  -0.00986   2.96820
   R22        2.99187  -0.00493  -0.00182  -0.03096  -0.03277   2.95910
   R23        2.92102  -0.00241  -0.00311  -0.01378  -0.01689   2.90413
   R24        2.92534   0.00122  -0.00103   0.00798   0.00711   2.93245
   R25        2.08072   0.00097  -0.00001   0.00348   0.00347   2.08419
   R26        2.08877  -0.00091   0.00060  -0.00330  -0.00270   2.08607
   R27        2.90024   0.00211  -0.00129   0.01181   0.01054   2.91078
   R28        2.09832   0.00039  -0.00012   0.00022   0.00010   2.09842
   R29        2.09719   0.00047  -0.00005   0.00013   0.00007   2.09726
   R30        2.87490  -0.00014  -0.00147  -0.00183  -0.00330   2.87160
   R31        2.11653  -0.00027  -0.00132  -0.00464  -0.00597   2.11056
   R32        2.09821   0.00314  -0.00100   0.00992   0.00892   2.10712
   R33        2.89651  -0.00060   0.00055  -0.00258  -0.00204   2.89448
   R34        2.90638   0.00104   0.00019   0.00402   0.00421   2.91060
   R35        2.86744   0.00068   0.00079   0.00368   0.00447   2.87191
   R36        2.89091   0.00132  -0.00029   0.00614   0.00586   2.89677
   R37        2.09414  -0.00010  -0.00029  -0.00162  -0.00191   2.09223
   R38        2.09760   0.00027   0.00016   0.00051   0.00067   2.09827
   R39        2.06832   0.00045  -0.00023   0.00131   0.00108   2.06940
   R40        2.06943   0.00073   0.00007   0.00271   0.00278   2.07222
   R41        2.09017  -0.00158  -0.00046  -0.00823  -0.00869   2.08147
   R42        2.83700   0.00047  -0.00008   0.00200   0.00194   2.83894
   R43        2.10000   0.00009  -0.00038  -0.00142  -0.00180   2.09820
   R44        2.10023  -0.00013  -0.00012  -0.00175  -0.00187   2.09836
   R45        2.53188   0.00113   0.00039   0.00356   0.00395   2.53583
   R46        2.88165  -0.00174  -0.00320  -0.01053  -0.01373   2.86791
   R47        2.07462  -0.00027  -0.00026  -0.00166  -0.00193   2.07269
   R48        2.06539   0.00065  -0.00020   0.00246   0.00225   2.06765
   R49        2.08110  -0.00068   0.00006  -0.00310  -0.00304   2.07806
   R50        2.07762  -0.00056  -0.00014  -0.00299  -0.00313   2.07449
   R51        2.07396   0.00019   0.00022   0.00061   0.00083   2.07479
   R52        2.06987   0.00108  -0.00024   0.00406   0.00383   2.07370
   R53        2.51583   0.00236   0.00050   0.00726   0.00776   2.52358
   R54        2.05813   0.00066  -0.00032   0.00202   0.00170   2.05983
   R55        2.79332  -0.00043  -0.00032  -0.00261  -0.00292   2.79040
   R56        2.06655  -0.00077   0.00012  -0.00348  -0.00336   2.06319
   R57        2.10522  -0.00277  -0.00131  -0.01362  -0.01494   2.09029
   R58        2.08956   0.00179   0.00015   0.00575   0.00590   2.09546
   R59        2.82424  -0.00104   0.00001  -0.00558  -0.00557   2.81867
   R60        2.06523  -0.00063   0.00006  -0.00294  -0.00288   2.06235
    A1        1.95019  -0.00171  -0.00315  -0.01632  -0.01948   1.93071
    A2        1.92977   0.00035  -0.00159   0.00032  -0.00127   1.92850
    A3        1.93169  -0.00181  -0.00218  -0.01692  -0.01910   1.91259
    A4        1.75767  -0.00065  -0.00004  -0.01680  -0.01704   1.74063
    A5        1.87807   0.00055   0.00059   0.01300   0.01356   1.89163
    A6        1.98120   0.00046  -0.00040   0.00738   0.00718   1.98837
    A7        2.01558   0.00001  -0.00139  -0.00233  -0.00340   2.01217
    A8        1.89626   0.00061   0.00312   0.01214   0.01521   1.91147
    A9        1.93114  -0.00089  -0.00178  -0.01293  -0.01482   1.91632
   A10        1.93623   0.00019   0.00033   0.00482   0.00506   1.94129
   A11        1.81500   0.00016  -0.00128  -0.00328  -0.00468   1.81032
   A12        1.88025   0.00004   0.00089   0.00683   0.00778   1.88803
   A13        2.07689  -0.00055   0.00055  -0.00599  -0.00516   2.07173
   A14        1.88949   0.00016  -0.00139  -0.00237  -0.00382   1.88567
   A15        1.85623   0.00002   0.00103   0.00125   0.00216   1.85839
   A16        1.90548   0.00028   0.00027  -0.00207  -0.00189   1.90359
   A17        1.94577  -0.00038  -0.00003  -0.00629  -0.00629   1.93948
   A18        1.90921  -0.00013  -0.00055  -0.00293  -0.00352   1.90569
   A19        1.94385   0.00004   0.00050   0.00197   0.00248   1.94632
   A20        1.85315   0.00028   0.00055   0.01549   0.01608   1.86922
   A21        1.90388  -0.00005  -0.00073  -0.00522  -0.00604   1.89784
   A22        1.89478  -0.00024  -0.00024  -0.00446  -0.00470   1.89009
   A23        1.80045   0.00029   0.00089   0.00777   0.00866   1.80911
   A24        1.82858   0.00013   0.00070   0.00446   0.00516   1.83374
   A25        1.98232  -0.00008  -0.00029  -0.00259  -0.00292   1.97940
   A26        1.94133   0.00007  -0.00107  -0.00190  -0.00298   1.93835
   A27        2.00086  -0.00015   0.00025  -0.00209  -0.00184   1.99902
   A28        1.97447  -0.00039   0.00067  -0.00792  -0.00715   1.96732
   A29        1.85905   0.00027   0.00133   0.00658   0.00809   1.86714
   A30        1.87651  -0.00064  -0.00001  -0.01568  -0.01578   1.86073
   A31        1.82841   0.00091   0.00025   0.00362   0.00344   1.83185
   A32        1.97811   0.00022  -0.00055   0.00999   0.00951   1.98762
   A33        1.94453  -0.00034  -0.00163   0.00420   0.00266   1.94720
   A34        1.83907  -0.00180  -0.00002  -0.01021  -0.01053   1.82854
   A35        1.94864   0.00103  -0.00116   0.00211   0.00097   1.94961
   A36        1.94468   0.00022   0.00090   0.00378   0.00474   1.94941
   A37        1.94169   0.00004  -0.00016  -0.00855  -0.00866   1.93302
   A38        1.94317   0.00079   0.00110   0.00923   0.01044   1.95360
   A39        1.84884  -0.00022  -0.00062   0.00379   0.00314   1.85198
   A40        1.96474  -0.00076   0.00024   0.00012   0.00014   1.96488
   A41        1.91789   0.00067   0.00092   0.00838   0.00938   1.92727
   A42        1.92449  -0.00008  -0.00219  -0.00670  -0.00882   1.91567
   A43        1.91122  -0.00039   0.00071  -0.00623  -0.00547   1.90575
   A44        1.88066   0.00062   0.00017   0.00109   0.00131   1.88197
   A45        1.86167  -0.00003   0.00014   0.00330   0.00343   1.86510
   A46        1.84815   0.00104  -0.00059  -0.00067  -0.00150   1.84665
   A47        1.95770  -0.00098  -0.00061  -0.00713  -0.00762   1.95007
   A48        1.87232   0.00010   0.00032   0.01015   0.01049   1.88281
   A49        1.97128  -0.00033  -0.00050  -0.00277  -0.00324   1.96805
   A50        1.91452  -0.00040   0.00076  -0.00584  -0.00502   1.90950
   A51        1.89702   0.00058   0.00066   0.00660   0.00723   1.90425
   A52        1.91317  -0.00031   0.00161  -0.00126   0.00037   1.91354
   A53        1.83915   0.00011  -0.00067  -0.00091  -0.00158   1.83758
   A54        1.88317   0.00033  -0.00038   0.00718   0.00676   1.88993
   A55        2.00514  -0.00020   0.00058   0.00206   0.00257   2.00771
   A56        1.90419   0.00061  -0.00038   0.00565   0.00527   1.90947
   A57        1.91481  -0.00053  -0.00080  -0.01251  -0.01326   1.90155
   A58        1.87558   0.00059   0.00042   0.00627   0.00669   1.88227
   A59        1.96432  -0.00057   0.00023  -0.00378  -0.00356   1.96076
   A60        1.91623   0.00012   0.00012   0.00125   0.00139   1.91762
   A61        1.87422   0.00006  -0.00027   0.00109   0.00082   1.87504
   A62        1.96532  -0.00063  -0.00022  -0.00575  -0.00597   1.95935
   A63        1.86932   0.00038  -0.00029   0.00059   0.00030   1.86962
   A64        1.95942  -0.00074   0.00053  -0.00513  -0.00463   1.95479
   A65        1.91689   0.00001   0.00007  -0.00352  -0.00348   1.91341
   A66        1.92516   0.00027  -0.00028   0.00224   0.00197   1.92713
   A67        1.91472   0.00017  -0.00018  -0.00308  -0.00329   1.91144
   A68        1.91029   0.00030   0.00025   0.00459   0.00484   1.91513
   A69        1.83317   0.00006  -0.00044   0.00561   0.00517   1.83834
   A70        1.96286   0.00033  -0.00099   0.00003  -0.00099   1.96187
   A71        1.96189  -0.00035  -0.00064  -0.00593  -0.00659   1.95531
   A72        1.94225  -0.00032   0.00059   0.00120   0.00179   1.94404
   A73        1.88457  -0.00033   0.00042  -0.00649  -0.00611   1.87846
   A74        1.87542   0.00014   0.00122   0.00342   0.00464   1.88006
   A75        1.82979   0.00056  -0.00049   0.00850   0.00802   1.83781
   A76        1.94584   0.00005   0.00113  -0.00218  -0.00106   1.94478
   A77        1.93047  -0.00006   0.00040   0.00001   0.00041   1.93088
   A78        1.91004  -0.00009  -0.00011  -0.00079  -0.00090   1.90913
   A79        1.91208  -0.00011  -0.00094  -0.00300  -0.00395   1.90814
   A80        1.93816  -0.00007  -0.00001  -0.00042  -0.00043   1.93773
   A81        1.82368   0.00029  -0.00058   0.00693   0.00635   1.83003
   A82        2.02199  -0.00021   0.00087  -0.00166  -0.00079   2.02120
   A83        2.13453   0.00084  -0.00015   0.00672   0.00656   2.14109
   A84        2.12643  -0.00064  -0.00073  -0.00497  -0.00570   2.12074
   A85        2.14327   0.00062   0.00102   0.00434   0.00448   2.14775
   A86        2.13400  -0.00450  -0.00170  -0.02503  -0.02761   2.10639
   A87        2.00438   0.00392   0.00029   0.02526   0.02467   2.02905
   A88        1.94651  -0.00061   0.00036  -0.00455  -0.00419   1.94232
   A89        1.94831   0.00014  -0.00039  -0.00131  -0.00170   1.94660
   A90        1.94601  -0.00028  -0.00015  -0.00184  -0.00199   1.94403
   A91        1.88226   0.00020   0.00073   0.00193   0.00266   1.88491
   A92        1.84537   0.00062  -0.00068   0.00817   0.00750   1.85287
   A93        1.89098  -0.00003   0.00014  -0.00178  -0.00165   1.88933
   A94        1.95112  -0.00008   0.00032   0.00025   0.00057   1.95168
   A95        1.95852   0.00013   0.00022   0.00248   0.00270   1.96122
   A96        1.93273   0.00073  -0.00017   0.00456   0.00439   1.93713
   A97        1.84702   0.00016  -0.00054   0.00439   0.00383   1.85085
   A98        1.88994  -0.00053  -0.00019  -0.00748  -0.00767   1.88226
   A99        1.88047  -0.00048   0.00034  -0.00480  -0.00446   1.87601
   A100       2.15944   0.00037   0.00008   0.00502   0.00508   2.16453
   A101       2.00288   0.00076   0.00103   0.00906   0.01010   2.01298
   A102       2.12053  -0.00113  -0.00112  -0.01408  -0.01519   2.10533
   A103       2.15548  -0.00076   0.00004  -0.00662  -0.00658   2.14891
   A104       2.13917  -0.00001  -0.00050  -0.00189  -0.00240   2.13678
   A105       1.98837   0.00078   0.00046   0.00859   0.00904   1.99741
   A106       1.95277  -0.00197  -0.00005  -0.01077  -0.01098   1.94179
   A107       1.79804   0.00072   0.00308   0.01727   0.02032   1.81836
   A108       1.90991   0.00068  -0.00212  -0.00464  -0.00696   1.90295
   A109       1.94783   0.00164   0.00210   0.01627   0.01836   1.96620
   A110       1.92726  -0.00013  -0.00342  -0.00711  -0.01066   1.91660
   A111       1.92423  -0.00092   0.00086  -0.01002  -0.00907   1.91517
   A112       2.13697  -0.00094  -0.00037  -0.00712  -0.00750   2.12947
   A113       2.15650  -0.00059   0.00009  -0.00774  -0.00765   2.14884
   A114       1.98971   0.00153   0.00029   0.01488   0.01517   2.00487
   A115       2.15129  -0.00123  -0.00004  -0.00820  -0.00824   2.14305
   A116       2.12101   0.00009  -0.00039   0.00001  -0.00039   2.12062
   A117       2.01088   0.00113   0.00043   0.00820   0.00863   2.01951
    D1        0.63852  -0.00119  -0.03174  -0.06334  -0.09485   0.54367
    D2        2.63793  -0.00013  -0.03029  -0.05913  -0.08958   2.54835
    D3       -1.55903  -0.00071  -0.03150  -0.05886  -0.09044  -1.64947
    D4       -1.67350   0.00007   0.01593   0.03488   0.05077  -1.62273
    D5        2.44289   0.00043   0.01472   0.03368   0.04843   2.49132
    D6        0.39817   0.00083   0.01616   0.04515   0.06132   0.45949
    D7        0.66979  -0.00120  -0.04169  -0.05211  -0.09375   0.57604
    D8        2.76432   0.00020  -0.03741  -0.02785  -0.06523   2.69909
    D9       -1.47201  -0.00018  -0.03575  -0.03249  -0.06832  -1.54032
   D10        3.02349  -0.00018   0.00170   0.02029   0.02190   3.04539
   D11        0.77082   0.00027   0.00169   0.02698   0.02839   0.79920
   D12       -1.19446   0.00015   0.00075   0.02431   0.02494  -1.16951
   D13       -1.14275  -0.00026   0.00036   0.01488   0.01526  -1.12749
   D14        2.88777   0.00018   0.00035   0.02157   0.02174   2.90951
   D15        0.92249   0.00007  -0.00059   0.01890   0.01830   0.94080
   D16        1.00026  -0.00071  -0.00176   0.01265   0.01097   1.01124
   D17       -1.25241  -0.00026  -0.00177   0.01934   0.01746  -1.23495
   D18        3.06550  -0.00038  -0.00271   0.01667   0.01402   3.07952
   D19        1.39617   0.00019   0.00117  -0.03858  -0.03741   1.35876
   D20       -0.62157  -0.00048  -0.00090  -0.04468  -0.04556  -0.66713
   D21       -2.74492  -0.00081   0.00125  -0.05803  -0.05677  -2.80169
   D22       -0.62036  -0.00006   0.00111  -0.04265  -0.04160  -0.66197
   D23       -2.63810  -0.00073  -0.00097  -0.04876  -0.04975  -2.68785
   D24        1.52173  -0.00105   0.00119  -0.06210  -0.06096   1.46077
   D25       -2.80143   0.00063   0.00196  -0.03358  -0.03166  -2.83309
   D26        1.46402  -0.00004  -0.00012  -0.03968  -0.03981   1.42421
   D27       -0.65933  -0.00037   0.00204  -0.05303  -0.05101  -0.71035
   D28        0.98530  -0.00024  -0.00050  -0.02785  -0.02830   0.95700
   D29       -1.14986   0.00030  -0.00223  -0.02598  -0.02814  -1.17800
   D30        3.08604  -0.00002  -0.00166  -0.03106  -0.03266   3.05338
   D31        2.93207  -0.00069  -0.00091  -0.04141  -0.04243   2.88964
   D32        0.79691  -0.00015  -0.00264  -0.03954  -0.04227   0.75464
   D33       -1.25038  -0.00047  -0.00207  -0.04462  -0.04679  -1.29717
   D34       -1.18821  -0.00060   0.00076  -0.03751  -0.03674  -1.22495
   D35        2.95982  -0.00006  -0.00098  -0.03564  -0.03659   2.92323
   D36        0.91253  -0.00038  -0.00040  -0.04072  -0.04111   0.87142
   D37        1.00498   0.00015  -0.00602   0.04048   0.03444   1.03941
   D38        3.13645  -0.00029  -0.00669   0.02754   0.02085  -3.12588
   D39       -1.10028  -0.00003  -0.00732   0.03521   0.02787  -1.07242
   D40       -0.93481   0.00034  -0.00761   0.04969   0.04215  -0.89266
   D41        1.19667  -0.00010  -0.00828   0.03675   0.02857   1.22523
   D42       -3.04007   0.00016  -0.00892   0.04442   0.03558  -3.00449
   D43        3.11846   0.00052  -0.00686   0.05302   0.04608  -3.11864
   D44       -1.03325   0.00008  -0.00752   0.04008   0.03250  -1.00075
   D45        1.01320   0.00034  -0.00816   0.04775   0.03951   1.05272
   D46        1.07460   0.00013  -0.00089   0.00286   0.00196   1.07656
   D47       -3.05355   0.00011  -0.00009  -0.00035  -0.00045  -3.05400
   D48       -0.94636  -0.00029  -0.00140  -0.01290  -0.01427  -0.96063
   D49       -3.10487   0.00010  -0.00194  -0.00211  -0.00408  -3.10895
   D50       -0.94983   0.00008  -0.00114  -0.00532  -0.00649  -0.95632
   D51        1.15735  -0.00032  -0.00244  -0.01786  -0.02031   1.13704
   D52       -0.98503  -0.00014  -0.00133  -0.00679  -0.00811  -0.99314
   D53        1.17000  -0.00015  -0.00053  -0.01000  -0.01051   1.15949
   D54       -3.00600  -0.00056  -0.00183  -0.02254  -0.02434  -3.03034
   D55       -0.62501   0.00002  -0.00222  -0.00193  -0.00417  -0.62918
   D56        1.48508  -0.00049  -0.00308  -0.01752  -0.02061   1.46447
   D57       -2.73468   0.00006  -0.00404  -0.00885  -0.01284  -2.74752
   D58       -2.78919  -0.00001  -0.00197  -0.00154  -0.00352  -2.79272
   D59       -0.67911  -0.00051  -0.00283  -0.01713  -0.01997  -0.69907
   D60        1.38432   0.00004  -0.00378  -0.00846  -0.01220   1.37212
   D61        1.35753   0.00015  -0.00136   0.00478   0.00336   1.36089
   D62       -2.81557  -0.00036  -0.00222  -0.01081  -0.01308  -2.82865
   D63       -0.75214   0.00019  -0.00318  -0.00214  -0.00531  -0.75745
   D64        1.13725  -0.00010   0.00214  -0.01055  -0.00840   1.12885
   D65       -0.85444  -0.00026   0.00136  -0.01583  -0.01444  -0.86887
   D66        3.14035  -0.00004   0.00226  -0.00881  -0.00655   3.13381
   D67       -1.01893   0.00016   0.00166  -0.00245  -0.00078  -1.01971
   D68       -3.01061   0.00000   0.00088  -0.00773  -0.00681  -3.01742
   D69        0.98418   0.00022   0.00178  -0.00071   0.00108   0.98526
   D70       -3.08939   0.00004   0.00194  -0.00660  -0.00468  -3.09407
   D71        1.20212  -0.00012   0.00116  -0.01188  -0.01072   1.19140
   D72       -1.08628   0.00010   0.00206  -0.00486  -0.00283  -1.08911
   D73       -3.06920  -0.00026  -0.00011   0.00146   0.00142  -3.06778
   D74        1.07872   0.00003  -0.00029   0.01143   0.01120   1.08992
   D75       -0.93370  -0.00020   0.00037   0.00540   0.00582  -0.92787
   D76       -0.93612  -0.00015   0.00057  -0.00428  -0.00371  -0.93983
   D77       -3.07139   0.00014   0.00040   0.00570   0.00606  -3.06532
   D78        1.19938  -0.00009   0.00105  -0.00034   0.00069   1.20007
   D79        1.10369   0.00019   0.00109   0.01262   0.01370   1.11739
   D80       -1.03158   0.00048   0.00091   0.02260   0.02348  -1.00810
   D81       -3.04400   0.00025   0.00157   0.01656   0.01811  -3.02589
   D82        2.91232   0.00049  -0.00211   0.01054   0.00844   2.92076
   D83       -1.30438   0.00027  -0.00144   0.00982   0.00837  -1.29601
   D84        0.85371  -0.00010  -0.00237  -0.00074  -0.00311   0.85060
   D85       -1.32349   0.00034  -0.00200   0.00870   0.00668  -1.31680
   D86        0.74299   0.00012  -0.00132   0.00798   0.00662   0.74961
   D87        2.90109  -0.00025  -0.00225  -0.00258  -0.00487   2.89622
   D88        0.93516   0.00022  -0.00359   0.00151  -0.00208   0.93307
   D89        3.00164   0.00000  -0.00292   0.00079  -0.00215   2.99949
   D90       -1.12345  -0.00037  -0.00385  -0.00977  -0.01364  -1.13709
   D91        1.08333  -0.00030  -0.00145  -0.00089  -0.00234   1.08099
   D92       -3.14004  -0.00017  -0.00138   0.00227   0.00088  -3.13917
   D93       -1.05962   0.00002  -0.00152   0.00143  -0.00011  -1.05973
   D94       -0.96054  -0.00012  -0.00103   0.00277   0.00175  -0.95879
   D95        1.09928   0.00000  -0.00097   0.00593   0.00496   1.10424
   D96       -3.10349   0.00020  -0.00111   0.00508   0.00398  -3.09951
   D97        3.04385   0.00006   0.00016   0.01012   0.01030   3.05415
   D98       -1.17952   0.00019   0.00023   0.01328   0.01352  -1.16601
   D99        0.90090   0.00039   0.00009   0.01244   0.01253   0.91344
   D100      -1.83991   0.00020  -0.00229   0.04821   0.04590  -1.79401
   D101       0.31769  -0.00011  -0.00369   0.03995   0.03628   0.35398
   D102       2.39956   0.00010  -0.00303   0.05041   0.04741   2.44696
   D103       0.25656   0.00033  -0.00076   0.04406   0.04329   0.29985
   D104       2.41417   0.00003  -0.00216   0.03580   0.03367   2.44784
   D105      -1.78715   0.00023  -0.00150   0.04625   0.04480  -1.74235
   D106       2.40180   0.00099  -0.00220   0.06088   0.05864   2.46044
   D107      -1.72378   0.00069  -0.00360   0.05262   0.04902  -1.67476
   D108       0.35808   0.00089  -0.00294   0.06308   0.06015   0.41823
   D109      -2.51354  -0.00057  -0.02121  -0.05758  -0.07910  -2.59263
   D110       0.56955   0.00000  -0.04506   0.02805  -0.01675   0.55280
   D111       1.57426   0.00027  -0.02169  -0.04241  -0.06451   1.50976
   D112      -1.62583   0.00084  -0.04554   0.04323  -0.00216  -1.62800
   D113      -0.48271  -0.00082  -0.02050  -0.05666  -0.07729  -0.56000
   D114       2.60038  -0.00024  -0.04435   0.02897  -0.01495   2.58544
   D115       0.22263  -0.00012   0.00201  -0.02558  -0.02341   0.19921
   D116      -1.92642   0.00058   0.00349  -0.01451  -0.01093  -1.93734
   D117       2.23776   0.00036   0.00244  -0.01691  -0.01440   2.22335
   D118      -1.89201  -0.00027   0.00352  -0.01703  -0.01347  -1.90547
   D119       2.24214   0.00043   0.00500  -0.00597  -0.00098   2.24116
   D120       0.12313   0.00020   0.00395  -0.00837  -0.00446   0.11867
   D121       2.33328  -0.00053   0.00369  -0.02221  -0.01848   2.31480
   D122       0.18424   0.00017   0.00517  -0.01115  -0.00600   0.17824
   D123      -1.93477  -0.00006   0.00412  -0.01355  -0.00948  -1.94425
   D124       1.29267  -0.00016   0.00269   0.01551   0.01819   1.31086
   D125      -0.81494   0.00027   0.00080   0.01650   0.01730  -0.79763
   D126      -2.96737   0.00003   0.00151   0.01740   0.01891  -2.94846
   D127      -2.85160  -0.00011   0.00454   0.02186   0.02637  -2.82523
   D128       1.32398   0.00033   0.00265   0.02284   0.02548   1.34946
   D129      -0.82846   0.00008   0.00336   0.02374   0.02709  -0.80136
   D130      -0.83313   0.00000   0.00517   0.02309   0.02827  -0.80486
   D131      -2.94073   0.00043   0.00328   0.02408   0.02738  -2.91335
   D132       1.19002   0.00018   0.00399   0.02498   0.02899   1.21901
   D133       1.05873  -0.00011   0.00489   0.00250   0.00744   1.06617
   D134      -3.11755  -0.00018   0.00580   0.00090   0.00675  -3.11080
   D135      -0.99980  -0.00031   0.00560  -0.00360   0.00205  -0.99775
   D136      -3.13747   0.00031   0.00333  -0.00545  -0.00217  -3.13964
   D137      -1.03056   0.00024   0.00424  -0.00705  -0.00286  -1.03342
   D138       1.08719   0.00010   0.00404  -0.01155  -0.00756   1.07963
   D139      -1.00859  -0.00001   0.00444  -0.01002  -0.00559  -1.01417
   D140       1.09832  -0.00008   0.00535  -0.01162  -0.00628   1.09204
   D141      -3.06712  -0.00022   0.00515  -0.01613  -0.01098  -3.07809
   D142       0.96554  -0.00007  -0.00158   0.00028  -0.00130   0.96423
   D143      -2.19865  -0.00007  -0.00199   0.00447   0.00249  -2.19615
   D144      -1.15177   0.00025  -0.00193   0.00066  -0.00128  -1.15305
   D145       1.96723   0.00024  -0.00234   0.00485   0.00251   1.96974
   D146       3.07790   0.00010  -0.00127   0.00252   0.00123   3.07913
   D147      -0.08629   0.00010  -0.00168   0.00672   0.00503  -0.08126
   D148      -0.86322  -0.00033  -0.00820  -0.01460  -0.02280  -0.88601
   D149       1.20884  -0.00009  -0.00852  -0.00714  -0.01565   1.19318
   D150      -2.97230  -0.00010  -0.00806  -0.00839  -0.01644  -2.98874
   D151       1.19740   0.00011  -0.00773  -0.00839  -0.01612   1.18128
   D152      -3.01373   0.00034  -0.00805  -0.00092  -0.00897  -3.02271
   D153      -0.91168   0.00033  -0.00758  -0.00218  -0.00976  -0.92145
   D154      -2.97077  -0.00039  -0.00830  -0.01426  -0.02256  -2.99333
   D155      -0.89872  -0.00016  -0.00862  -0.00679  -0.01542  -0.91414
   D156       1.20333  -0.00017  -0.00815  -0.00805  -0.01621   1.18712
   D157       2.17169   0.00027   0.00247  -0.00173   0.00074   2.17243
   D158      -0.99764   0.00025   0.00197  -0.00187   0.00009  -0.99755
   D159       0.08272  -0.00015   0.00200  -0.00677  -0.00477   0.07795
   D160      -3.08661  -0.00018   0.00149  -0.00691  -0.00542  -3.09203
   D161      -1.97368  -0.00011   0.00264  -0.00522  -0.00259  -1.97627
   D162       1.14017  -0.00014   0.00213  -0.00536  -0.00323   1.13693
   D163       0.89545   0.00015  -0.00378   0.00503   0.00124   0.89669
   D164      -1.23669   0.00029  -0.00364   0.01037   0.00672  -1.22997
   D165       3.04649   0.00003  -0.00310   0.00246  -0.00065   3.04584
   D166       3.03194  -0.00023  -0.00346  -0.00518  -0.00863   3.02331
   D167       0.89980  -0.00008  -0.00332   0.00016  -0.00315   0.89665
   D168      -1.10020  -0.00035  -0.00278  -0.00775  -0.01052  -1.11072
   D169      -1.24846   0.00010  -0.00396   0.00239  -0.00156  -1.25002
   D170       2.90259   0.00025  -0.00381   0.00773   0.00392   2.90651
   D171       0.90258  -0.00002  -0.00327  -0.00018  -0.00345   0.89914
   D172      -0.94524  -0.00001   0.00443  -0.00243   0.00199  -0.94325
   D173       2.21883  -0.00003   0.00483  -0.00677  -0.00193   2.21690
   D174       1.19747  -0.00013   0.00505  -0.00598  -0.00094   1.19653
   D175      -1.92165  -0.00015   0.00545  -0.01032  -0.00486  -1.92651
   D176      -3.08018   0.00012   0.00378   0.00041   0.00419  -3.07599
   D177       0.08389   0.00010   0.00418  -0.00392   0.00027   0.08416
   D178       0.03486  -0.00001  -0.00029  -0.00518  -0.00546   0.02940
   D179      -3.12723   0.00004  -0.00007  -0.00032  -0.00040  -3.12763
   D180      -3.13066  -0.00001  -0.00071  -0.00068  -0.00138  -3.13204
   D181      -0.00957   0.00005  -0.00048   0.00418   0.00369  -0.00588
   D182      -0.26112   0.00056  -0.07644   0.03694  -0.03984  -0.30096
   D183      -2.26558  -0.00013  -0.08153   0.01196  -0.06989  -2.33547
   D184       1.87078  -0.00001  -0.08168   0.01850  -0.06337   1.80741
   D185       2.93863  -0.00019  -0.05269  -0.04927  -0.10173   2.83690
   D186       0.93417  -0.00089  -0.05778  -0.07425  -0.13179   0.80238
   D187      -1.21266  -0.00077  -0.05793  -0.06772  -0.12527  -1.33793
   D188      -0.02664   0.00010  -0.00030   0.00508   0.00477  -0.02187
   D189       3.12021   0.00003  -0.00095   0.00062  -0.00031   3.11990
   D190      -3.13869   0.00010   0.00020   0.00485   0.00504  -3.13365
   D191       0.00816   0.00002  -0.00045   0.00039  -0.00004   0.00812
   D192      -3.11535   0.00005   0.00101   0.00517   0.00619  -3.10917
   D193       0.02772   0.00004   0.00207   0.00329   0.00537   0.03309
   D194       0.04514   0.00001   0.00082   0.00079   0.00160   0.04674
   D195      -3.09497  -0.00001   0.00187  -0.00109   0.00078  -3.09419
   D196       3.11069  -0.00007  -0.00073  -0.00489  -0.00564   3.10505
   D197      -0.03236  -0.00006  -0.00176  -0.00306  -0.00483  -0.03720
   D198      -0.03570  -0.00001  -0.00014  -0.00088  -0.00100  -0.03670
   D199       3.10444   0.00001  -0.00117   0.00095  -0.00020   3.10424
         Item               Value     Threshold  Converged?
 Maximum Force            0.004932     0.000450     NO 
 RMS     Force            0.000783     0.000300     NO 
 Maximum Displacement     0.425389     0.001800     NO 
 RMS     Displacement     0.051324     0.001200     NO 
 Predicted change in Energy=-1.524302D-03
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C22H29FO5
 Framework group  C1[X(C22H29FO5)]
 Deg. of freedom   165
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          9           0        1.541355    0.073823   -1.412976
      2          8           0       -3.026740    0.404939   -1.812859
      3          8           0        0.383848   -2.196316    1.106784
      4          8           0       -4.837130   -0.167039    1.090408
      5          8           0       -5.554474   -2.428091   -0.178321
      6          8           0        6.500788   -0.152848   -1.357671
      7          6           0       -1.657280   -0.139601    0.194768
      8          6           0       -0.763076    1.120871   -0.007224
      9          6           0        0.621269    0.923272    0.613601
     10          6           0        1.329401   -0.268580   -0.092270
     11          6           0       -3.007351    0.397408   -0.388792
     12          6           0       -1.641059    2.275703    0.499455
     13          6           0       -1.027592   -1.309136   -0.577298
     14          6           0       -3.083779    1.890315    0.077467
     15          6           0        0.440425   -1.556621   -0.182004
     16          6           0        2.763366   -0.505942    0.503142
     17          6           0        1.456875    2.208401    0.523206
     18          6           0       -1.853639   -0.531424    1.656892
     19          6           0        2.883543    2.003664    1.045224
     20          6           0        3.536856    0.812391    0.404166
     21          6           0       -4.241254   -0.399428    0.063197
     22          6           0       -3.638327    2.792437   -1.012392
     23          6           0        2.721192   -0.905658    1.989995
     24          6           0        3.452641   -1.635412   -0.244410
     25          6           0        4.733867    0.906820   -0.194957
     26          6           0       -4.688738   -1.522037   -0.854801
     27          6           0        4.642429   -1.520497   -0.839852
     28          6           0        5.402865   -0.237335   -0.845916
     29          1           0       -0.629761    1.282360   -1.109209
     30          1           0        0.504712    0.645101    1.691939
     31          1           0       -1.571652    2.390907    1.594130
     32          1           0       -1.330289    3.243663    0.069256
     33          1           0       -1.085364   -1.127165   -1.671198
     34          1           0       -1.595557   -2.241021   -0.375525
     35          1           0       -3.756004    1.937339    0.968129
     36          1           0        0.895300   -2.270885   -0.907424
     37          1           0        0.963754    3.014089    1.100707
     38          1           0        1.490074    2.575971   -0.524021
     39          1           0       -2.322548    0.265715    2.243313
     40          1           0       -2.473529   -1.429807    1.762303
     41          1           0       -0.894878   -0.781805    2.137851
     42          1           0        2.881675    1.872751    2.147797
     43          1           0        3.476348    2.925920    0.869095
     44          1           0       -4.658297    2.500256   -1.290439
     45          1           0       -3.661329    3.839067   -0.694269
     46          1           0       -3.039191    2.725106   -1.932041
     47          1           0        2.107065   -0.214017    2.581251
     48          1           0        2.287563   -1.902734    2.142500
     49          1           0        3.729321   -0.914709    2.423329
     50          1           0       -2.474954   -0.327629   -2.171054
     51          1           0        2.919718   -2.586265   -0.247390
     52          1           0        1.081546   -2.877659    1.181832
     53          1           0        5.287542    1.846077   -0.252026
     54          1           0       -3.847680   -2.154328   -1.195917
     55          1           0       -5.220271   -1.100866   -1.732112
     56          1           0        5.133136   -2.347286   -1.356247
     57          1           0       -6.094775   -1.935383    0.488313
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.4228528      0.1033511      0.0949491
 Standard basis: VSTO-6G (5D, 7F)
 There are   141 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   141 basis functions,   846 primitive gaussians,   141 cartesian basis functions
    77 alpha electrons       77 beta electrons
       nuclear repulsion energy      1661.2665188692 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   141 RedAO= F  NBF=   141
 NBsUse=   141 1.00D-04 NBFU=   141
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=982442.
 SCF Done:  E(RPM6) = -0.412795771768     A.U. after   14 cycles
             Convg  =    0.6780D-08             -V/T =  0.9987
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        9          -0.000357346    0.000729339   -0.001306420
      2        8          -0.000272746    0.002574617    0.004981997
      3        8          -0.002133787   -0.000410602    0.002013968
      4        8          -0.000593103   -0.000022096    0.001446107
      5        8           0.000214864    0.000725270    0.000435752
      6        8          -0.000796288   -0.000000310   -0.000444149
      7        6           0.002870758    0.000930278   -0.000134019
      8        6          -0.000083010   -0.000636675    0.000399897
      9        6           0.000820279    0.000276074   -0.000438091
     10        6          -0.000680004   -0.000715216    0.000262121
     11        6          -0.003096280   -0.001813810   -0.003936538
     12        6           0.001313844   -0.002027135   -0.000560258
     13        6           0.001005919    0.000615583    0.000003384
     14        6           0.000824850   -0.001787423   -0.000560190
     15        6          -0.000084580   -0.000565901   -0.000472985
     16        6           0.001824235    0.000920038    0.000200062
     17        6           0.000891780   -0.000485259    0.000657371
     18        6          -0.000141517    0.000149458   -0.001507749
     19        6          -0.000191385    0.000172845    0.000178098
     20        6           0.000842784    0.000444385    0.000747836
     21        6           0.001516354    0.000503526   -0.004665395
     22        6          -0.001058759   -0.001269432    0.001028061
     23        6           0.000168837   -0.000181443    0.000320715
     24        6           0.001584760   -0.000879753    0.000380588
     25        6          -0.001379135   -0.000305469   -0.000787093
     26        6           0.000123665    0.000674135    0.001340861
     27        6          -0.001707864   -0.000390279   -0.001113913
     28        6           0.001255505    0.000530928    0.000845794
     29        1          -0.000559737   -0.000302149    0.001137758
     30        1           0.000121611    0.000523313   -0.001028151
     31        1          -0.000072788   -0.000112269   -0.000013425
     32        1          -0.000395354    0.001012853   -0.000073241
     33        1           0.000018198    0.000165323    0.000446474
     34        1           0.000061370    0.000939644   -0.000119892
     35        1          -0.000433206   -0.000495570   -0.001367953
     36        1           0.000286961    0.000531941    0.000561347
     37        1          -0.000097019   -0.000192546   -0.000261031
     38        1           0.000289370    0.000188615   -0.000392202
     39        1          -0.000540272    0.000156479   -0.000680074
     40        1          -0.000691620    0.000084198   -0.000272765
     41        1           0.000429037   -0.000118745    0.000024839
     42        1          -0.000350225   -0.000010210   -0.000397463
     43        1          -0.000001911   -0.000129662    0.000202304
     44        1          -0.000323010   -0.000223769    0.000043760
     45        1          -0.000212192   -0.000308376    0.000211963
     46        1           0.000204945   -0.000294168    0.000194597
     47        1           0.000052849   -0.000273679   -0.000024622
     48        1           0.000303477    0.000102210    0.000048490
     49        1           0.000174860    0.000033514    0.000012046
     50        1           0.000942102   -0.000114565    0.002804270
     51        1          -0.000435374   -0.000027794   -0.000191977
     52        1           0.001087339    0.000203057   -0.000875994
     53        1           0.000050664    0.000196479    0.000087161
     54        1          -0.000671628    0.000503936    0.000689852
     55        1          -0.000261333    0.000461123    0.001610549
     56        1          -0.000176040   -0.000162781    0.000022755
     57        1          -0.001483704   -0.000092075   -0.001715193
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.004981997 RMS     0.001036504

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.007925542 RMS     0.000803106
 Search for a local minimum.
 Step number   7 out of a maximum of  342
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points    6    7
 DE= -1.05D-03 DEPred=-1.52D-03 R= 6.89D-01
 SS=  1.41D+00  RLast= 4.66D-01 DXNew= 3.7243D+00 1.3989D+00
 Trust test= 6.89D-01 RLast= 4.66D-01 DXMaxT set to 2.21D+00
     Eigenvalues ---    0.00170   0.00236   0.00243   0.00282   0.00423
     Eigenvalues ---    0.00427   0.00506   0.00551   0.00623   0.00696
     Eigenvalues ---    0.00722   0.01041   0.01091   0.01237   0.01315
     Eigenvalues ---    0.01420   0.01438   0.01460   0.01495   0.01638
     Eigenvalues ---    0.01708   0.01779   0.02088   0.02231   0.02312
     Eigenvalues ---    0.02410   0.03030   0.03321   0.03671   0.03782
     Eigenvalues ---    0.03917   0.04019   0.04243   0.04389   0.04494
     Eigenvalues ---    0.04658   0.04775   0.04889   0.04951   0.04955
     Eigenvalues ---    0.05078   0.05151   0.05237   0.05303   0.05321
     Eigenvalues ---    0.05378   0.05412   0.05426   0.05531   0.05583
     Eigenvalues ---    0.05760   0.05928   0.06187   0.06220   0.06512
     Eigenvalues ---    0.06779   0.06926   0.07082   0.07089   0.07284
     Eigenvalues ---    0.07385   0.07591   0.08105   0.08224   0.08273
     Eigenvalues ---    0.08292   0.08438   0.09137   0.09301   0.10660
     Eigenvalues ---    0.11240   0.11754   0.11842   0.12845   0.13460
     Eigenvalues ---    0.13688   0.14504   0.14954   0.15070   0.15666
     Eigenvalues ---    0.15978   0.15992   0.15996   0.15999   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16003   0.16073   0.16165   0.16275   0.16642
     Eigenvalues ---    0.17058   0.17976   0.19241   0.19280   0.20593
     Eigenvalues ---    0.21251   0.21963   0.22491   0.22916   0.24025
     Eigenvalues ---    0.24654   0.24921   0.25000   0.25305   0.26072
     Eigenvalues ---    0.26591   0.26671   0.27200   0.27716   0.27959
     Eigenvalues ---    0.28279   0.28494   0.28569   0.29062   0.29278
     Eigenvalues ---    0.29647   0.30107   0.30554   0.31684   0.32256
     Eigenvalues ---    0.33276   0.33395   0.33762   0.33867   0.33898
     Eigenvalues ---    0.33943   0.33997   0.34053   0.34071   0.34099
     Eigenvalues ---    0.34127   0.34208   0.34221   0.34238   0.34248
     Eigenvalues ---    0.34277   0.34285   0.34290   0.34327   0.34357
     Eigenvalues ---    0.34436   0.34479   0.34636   0.34897   0.35071
     Eigenvalues ---    0.35138   0.35402   0.35542   0.37281   0.42385
     Eigenvalues ---    0.44220   0.47850   0.50935   0.52906   0.53473
     Eigenvalues ---    0.53584   0.54957   0.58074   0.88924   0.92353
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:     7    6
 RFO step:  Lambda=-4.17186042D-04.
 DIIS coeffs:      0.82550      0.17450
 Iteration  1 RMS(Cart)=  0.05770204 RMS(Int)=  0.00230416
 Iteration  2 RMS(Cart)=  0.00301439 RMS(Int)=  0.00005157
 Iteration  3 RMS(Cart)=  0.00001253 RMS(Int)=  0.00005109
 Iteration  4 RMS(Cart)=  0.00000000 RMS(Int)=  0.00005109
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.60921  -0.00146  -0.00068  -0.00128  -0.00196   2.60725
    R2        2.69138   0.00793   0.00311   0.00757   0.01068   2.70206
    R3        1.86062   0.00131   0.00104   0.00160   0.00264   1.86326
    R4        2.72107  -0.00108   0.00121  -0.00427  -0.00306   2.71800
    R5        1.84831   0.00104  -0.00012   0.00226   0.00215   1.85045
    R6        2.28667  -0.00089  -0.00082   0.00035  -0.00047   2.28621
    R7        2.69116   0.00180  -0.00092   0.00497   0.00406   2.69521
    R8        1.86986   0.00197  -0.00027   0.00539   0.00512   1.87498
    R9        2.29465  -0.00091  -0.00084   0.00025  -0.00059   2.29406
   R10        2.94530   0.00148   0.00070   0.00437   0.00502   2.95032
   R11        2.95886   0.00382   0.00179   0.00471   0.00648   2.96535
   R12        2.90330   0.00166   0.00034   0.00484   0.00515   2.90845
   R13        2.88447   0.00255   0.00127   0.00562   0.00689   2.89136
   R14        2.89127   0.00215   0.00140   0.00417   0.00555   2.89682
   R15        2.90380   0.00106  -0.00105   0.00584   0.00487   2.90867
   R16        2.11971   0.00107   0.00004   0.00308   0.00312   2.12284
   R17        2.93986   0.00013  -0.00011   0.00037   0.00030   2.94016
   R18        2.90180   0.00069  -0.00080   0.00429   0.00349   2.90529
   R19        2.11597   0.00109   0.00233  -0.00097   0.00136   2.11733
   R20        2.96234   0.00036  -0.00030   0.00200   0.00175   2.96410
   R21        2.96820   0.00153   0.00172   0.00372   0.00545   2.97365
   R22        2.95910   0.00465   0.00572   0.00264   0.00829   2.96739
   R23        2.90413   0.00261   0.00295  -0.00184   0.00111   2.90524
   R24        2.93245   0.00154  -0.00124   0.00678   0.00555   2.93800
   R25        2.08419   0.00003  -0.00061   0.00169   0.00109   2.08528
   R26        2.08607  -0.00100   0.00047  -0.00313  -0.00265   2.08341
   R27        2.91078  -0.00040  -0.00184  -0.00012  -0.00194   2.90884
   R28        2.09842   0.00043  -0.00002   0.00187   0.00185   2.10027
   R29        2.09726   0.00078  -0.00001   0.00326   0.00325   2.10051
   R30        2.87160   0.00276   0.00058   0.00618   0.00675   2.87835
   R31        2.11056   0.00138   0.00104   0.00192   0.00296   2.11352
   R32        2.10712   0.00082  -0.00156   0.00603   0.00447   2.11159
   R33        2.89448  -0.00047   0.00036  -0.00321  -0.00285   2.89163
   R34        2.91060  -0.00044  -0.00074   0.00163   0.00090   2.91150
   R35        2.87191  -0.00138  -0.00078  -0.00126  -0.00204   2.86987
   R36        2.89677  -0.00046  -0.00102   0.00036  -0.00067   2.89610
   R37        2.09223   0.00031   0.00033   0.00047   0.00080   2.09303
   R38        2.09827  -0.00042  -0.00012  -0.00029  -0.00041   2.09786
   R39        2.06940   0.00045  -0.00019   0.00166   0.00148   2.07087
   R40        2.07222   0.00049  -0.00049   0.00263   0.00215   2.07436
   R41        2.08147   0.00034   0.00152  -0.00161  -0.00010   2.08138
   R42        2.83894   0.00008  -0.00034   0.00028  -0.00007   2.83887
   R43        2.09820   0.00040   0.00031   0.00101   0.00133   2.09953
   R44        2.09836   0.00015   0.00033   0.00026   0.00059   2.09894
   R45        2.53583  -0.00115  -0.00069  -0.00047  -0.00116   2.53467
   R46        2.86791   0.00366   0.00240   0.00267   0.00507   2.87298
   R47        2.07269   0.00024   0.00034  -0.00004   0.00030   2.07299
   R48        2.06765   0.00026  -0.00039   0.00139   0.00100   2.06864
   R49        2.07806   0.00024   0.00053  -0.00015   0.00038   2.07844
   R50        2.07449   0.00016   0.00055  -0.00043   0.00011   2.07460
   R51        2.07479  -0.00003  -0.00015   0.00069   0.00054   2.07533
   R52        2.07370   0.00015  -0.00067   0.00178   0.00111   2.07481
   R53        2.52358  -0.00192  -0.00135  -0.00056  -0.00191   2.52167
   R54        2.05983   0.00019  -0.00030   0.00104   0.00074   2.06057
   R55        2.79040   0.00031   0.00051  -0.00042   0.00009   2.79049
   R56        2.06319  -0.00014   0.00059  -0.00114  -0.00056   2.06264
   R57        2.09029  -0.00005   0.00261  -0.00602  -0.00341   2.08688
   R58        2.09546   0.00130  -0.00103   0.00646   0.00543   2.10089
   R59        2.81867  -0.00027   0.00097  -0.00198  -0.00101   2.81766
   R60        2.06235  -0.00020   0.00050  -0.00123  -0.00072   2.06162
    A1        1.93071   0.00463   0.00340   0.01558   0.01898   1.94969
    A2        1.92850   0.00093   0.00022   0.00388   0.00410   1.93260
    A3        1.91259   0.00208   0.00333   0.00135   0.00468   1.91727
    A4        1.74063   0.00000   0.00297  -0.00981  -0.00690   1.73373
    A5        1.89163  -0.00012  -0.00237   0.00811   0.00576   1.89739
    A6        1.98837   0.00015  -0.00125   0.00510   0.00382   1.99220
    A7        2.01217   0.00031   0.00059  -0.00002   0.00059   2.01276
    A8        1.91147  -0.00027  -0.00265   0.00237  -0.00024   1.91123
    A9        1.91632  -0.00005   0.00259  -0.00545  -0.00289   1.91343
   A10        1.94129  -0.00048  -0.00088   0.00346   0.00258   1.94387
   A11        1.81032   0.00055   0.00082   0.00051   0.00126   1.81159
   A12        1.88803  -0.00013  -0.00136  -0.00065  -0.00202   1.88601
   A13        2.07173  -0.00026   0.00090  -0.00275  -0.00180   2.06993
   A14        1.88567   0.00051   0.00067   0.00252   0.00319   1.88886
   A15        1.85839  -0.00019  -0.00038  -0.00335  -0.00371   1.85468
   A16        1.90359   0.00016   0.00033  -0.00050  -0.00018   1.90341
   A17        1.93948   0.00005   0.00110  -0.00485  -0.00374   1.93574
   A18        1.90569   0.00003   0.00061   0.00225   0.00286   1.90855
   A19        1.94632  -0.00018  -0.00043  -0.00065  -0.00107   1.94525
   A20        1.86922  -0.00019  -0.00281   0.00332   0.00051   1.86973
   A21        1.89784   0.00012   0.00105   0.00081   0.00189   1.89973
   A22        1.89009   0.00041   0.00082  -0.00464  -0.00380   1.88628
   A23        1.80911  -0.00058  -0.00151  -0.00585  -0.00736   1.80175
   A24        1.83374  -0.00032  -0.00090  -0.00284  -0.00372   1.83002
   A25        1.97940  -0.00002   0.00051   0.00180   0.00226   1.98167
   A26        1.93835  -0.00016   0.00052   0.00358   0.00405   1.94241
   A27        1.99902   0.00061   0.00032   0.00599   0.00629   2.00531
   A28        1.96732   0.00051   0.00125   0.00195   0.00323   1.97055
   A29        1.86714   0.00014  -0.00141   0.00812   0.00673   1.87386
   A30        1.86073  -0.00042   0.00275  -0.00887  -0.00619   1.85454
   A31        1.83185  -0.00081  -0.00060  -0.00547  -0.00625   1.82559
   A32        1.98762  -0.00031  -0.00166  -0.00113  -0.00270   1.98492
   A33        1.94720   0.00097  -0.00046   0.00662   0.00627   1.95347
   A34        1.82854   0.00069   0.00184  -0.00049   0.00119   1.82973
   A35        1.94961  -0.00042  -0.00017   0.00030   0.00020   1.94981
   A36        1.94941   0.00005  -0.00083   0.00146   0.00068   1.95009
   A37        1.93302  -0.00020   0.00151  -0.00427  -0.00275   1.93028
   A38        1.95360  -0.00036  -0.00182   0.00167  -0.00006   1.95354
   A39        1.85198   0.00021  -0.00055   0.00123   0.00065   1.85263
   A40        1.96488  -0.00031  -0.00002  -0.00557  -0.00560   1.95928
   A41        1.92727   0.00013  -0.00164   0.00784   0.00619   1.93347
   A42        1.91567   0.00048   0.00154  -0.00141   0.00012   1.91579
   A43        1.90575   0.00016   0.00095   0.00128   0.00222   1.90797
   A44        1.88197  -0.00036  -0.00023  -0.00290  -0.00311   1.87885
   A45        1.86510  -0.00010  -0.00060   0.00083   0.00023   1.86533
   A46        1.84665  -0.00032   0.00026  -0.00223  -0.00218   1.84447
   A47        1.95007   0.00041   0.00133   0.00248   0.00390   1.95397
   A48        1.88281   0.00026  -0.00183   0.00515   0.00335   1.88616
   A49        1.96805   0.00016   0.00056   0.00061   0.00128   1.96932
   A50        1.90950  -0.00022   0.00088  -0.00707  -0.00616   1.90334
   A51        1.90425  -0.00030  -0.00126   0.00101  -0.00032   1.90393
   A52        1.91354   0.00052  -0.00006   0.00369   0.00358   1.91712
   A53        1.83758  -0.00121   0.00028  -0.01233  -0.01202   1.82556
   A54        1.88993   0.00038  -0.00118   0.00635   0.00516   1.89509
   A55        2.00771   0.00081  -0.00045  -0.00050  -0.00097   2.00674
   A56        1.90947  -0.00045  -0.00092   0.00357   0.00265   1.91211
   A57        1.90155  -0.00007   0.00231  -0.00076   0.00154   1.90309
   A58        1.88227  -0.00008  -0.00117   0.00010  -0.00105   1.88122
   A59        1.96076   0.00067   0.00062   0.00539   0.00602   1.96678
   A60        1.91762  -0.00023  -0.00024   0.00091   0.00065   1.91827
   A61        1.87504  -0.00035  -0.00014  -0.00475  -0.00489   1.87015
   A62        1.95935   0.00020   0.00104  -0.00170  -0.00066   1.95869
   A63        1.86962  -0.00019  -0.00005   0.00000  -0.00007   1.86955
   A64        1.95479   0.00027   0.00081   0.00170   0.00249   1.95729
   A65        1.91341  -0.00003   0.00061  -0.00180  -0.00118   1.91223
   A66        1.92713  -0.00002  -0.00034   0.00105   0.00071   1.92783
   A67        1.91144  -0.00014   0.00057  -0.00163  -0.00105   1.91038
   A68        1.91513  -0.00024  -0.00084  -0.00149  -0.00232   1.91280
   A69        1.83834   0.00013  -0.00090   0.00215   0.00124   1.83959
   A70        1.96187   0.00086   0.00017   0.00382   0.00399   1.96587
   A71        1.95531   0.00015   0.00115  -0.00147  -0.00032   1.95499
   A72        1.94404  -0.00046  -0.00031  -0.00072  -0.00104   1.94301
   A73        1.87846  -0.00072   0.00107  -0.00777  -0.00669   1.87177
   A74        1.88006  -0.00013  -0.00081   0.00273   0.00192   1.88198
   A75        1.83781   0.00024  -0.00140   0.00330   0.00190   1.83971
   A76        1.94478   0.00007   0.00018   0.00069   0.00088   1.94566
   A77        1.93088  -0.00009  -0.00007  -0.00079  -0.00086   1.93001
   A78        1.90913  -0.00027   0.00016  -0.00241  -0.00226   1.90688
   A79        1.90814   0.00012   0.00069   0.00074   0.00142   1.90956
   A80        1.93773   0.00004   0.00007  -0.00120  -0.00112   1.93661
   A81        1.83003   0.00013  -0.00111   0.00307   0.00197   1.83199
   A82        2.02120   0.00004   0.00014  -0.00230  -0.00218   2.01902
   A83        2.14109  -0.00011  -0.00114   0.00239   0.00125   2.14234
   A84        2.12074   0.00007   0.00099  -0.00015   0.00085   2.12158
   A85        2.14775  -0.00006  -0.00078   0.00369   0.00261   2.15035
   A86        2.10639  -0.00139   0.00482  -0.01663  -0.01209   2.09430
   A87        2.02905   0.00145  -0.00430   0.01308   0.00848   2.03753
   A88        1.94232   0.00020   0.00073   0.00031   0.00105   1.94336
   A89        1.94660   0.00032   0.00030   0.00100   0.00129   1.94790
   A90        1.94403   0.00014   0.00035   0.00018   0.00052   1.94455
   A91        1.88491  -0.00036  -0.00046  -0.00140  -0.00187   1.88304
   A92        1.85287  -0.00003  -0.00131   0.00236   0.00105   1.85392
   A93        1.88933  -0.00031   0.00029  -0.00251  -0.00222   1.88712
   A94        1.95168  -0.00007  -0.00010   0.00040   0.00030   1.95199
   A95        1.96122   0.00002  -0.00047   0.00183   0.00136   1.96258
   A96        1.93713  -0.00015  -0.00077   0.00001  -0.00076   1.93637
   A97        1.85085   0.00020  -0.00067   0.00293   0.00226   1.85311
   A98        1.88226   0.00005   0.00134  -0.00309  -0.00175   1.88051
   A99        1.87601  -0.00005   0.00078  -0.00226  -0.00148   1.87452
   A100       2.16453   0.00014  -0.00089   0.00154   0.00065   2.16518
   A101       2.01298  -0.00052  -0.00176   0.00082  -0.00094   2.01203
   A102       2.10533   0.00037   0.00265  -0.00230   0.00035   2.10568
   A103       2.14891  -0.00011   0.00115  -0.00192  -0.00077   2.14813
   A104       2.13678   0.00023   0.00042   0.00033   0.00075   2.13753
   A105       1.99741  -0.00013  -0.00158   0.00160   0.00002   1.99743
   A106       1.94179  -0.00045   0.00192  -0.00620  -0.00427   1.93751
   A107       1.81836  -0.00044  -0.00355   0.00451   0.00096   1.81932
   A108       1.90295  -0.00009   0.00122  -0.00395  -0.00272   1.90022
   A109       1.96620   0.00101  -0.00320   0.01946   0.01625   1.98245
   A110       1.91660   0.00076   0.00186  -0.00417  -0.00230   1.91430
   A111       1.91517  -0.00090   0.00158  -0.00997  -0.00840   1.90676
   A112       2.12947   0.00031   0.00131  -0.00106   0.00025   2.12972
   A113       2.14884  -0.00019   0.00134  -0.00260  -0.00127   2.14757
   A114       2.00487  -0.00012  -0.00265   0.00367   0.00102   2.00589
   A115       2.14305   0.00014   0.00144  -0.00154  -0.00011   2.14294
   A116       2.12062   0.00029   0.00007   0.00079   0.00086   2.12148
   A117       2.01951  -0.00043  -0.00151   0.00075  -0.00076   2.01876
    D1        0.54367  -0.00044   0.01655  -0.10372  -0.08709   0.45657
    D2        2.54835  -0.00107   0.01563  -0.10439  -0.08885   2.45950
    D3       -1.64947  -0.00008   0.01578  -0.09710  -0.08131  -1.73078
    D4       -1.62273   0.00065  -0.00886   0.06097   0.05210  -1.57063
    D5        2.49132   0.00012  -0.00845   0.06708   0.05862   2.54993
    D6        0.45949   0.00063  -0.01070   0.07119   0.06051   0.52000
    D7        0.57604  -0.00013   0.01636  -0.08608  -0.06972   0.50631
    D8        2.69909   0.00057   0.01138  -0.06330  -0.05192   2.64717
    D9       -1.54032  -0.00074   0.01192  -0.07429  -0.06236  -1.60268
   D10        3.04539  -0.00021  -0.00382   0.01413   0.01033   3.05572
   D11        0.79920   0.00003  -0.00495   0.01502   0.01007   0.80927
   D12       -1.16951   0.00005  -0.00435   0.01883   0.01448  -1.15503
   D13       -1.12749   0.00009  -0.00266   0.01254   0.00988  -1.11760
   D14        2.90951   0.00034  -0.00379   0.01343   0.00962   2.91913
   D15        0.94080   0.00035  -0.00319   0.01723   0.01404   0.95483
   D16        1.01124   0.00004  -0.00192   0.01495   0.01306   1.02430
   D17       -1.23495   0.00029  -0.00305   0.01585   0.01280  -1.22215
   D18        3.07952   0.00030  -0.00245   0.01965   0.01721   3.09673
   D19        1.35876   0.00017   0.00653  -0.03008  -0.02355   1.33521
   D20       -0.66713   0.00024   0.00795  -0.03750  -0.02947  -0.69660
   D21       -2.80169  -0.00022   0.00991  -0.04127  -0.03136  -2.83304
   D22       -0.66197   0.00018   0.00726  -0.03370  -0.02642  -0.68839
   D23       -2.68785   0.00024   0.00868  -0.04112  -0.03233  -2.72019
   D24        1.46077  -0.00022   0.01064  -0.04490  -0.03422   1.42655
   D25       -2.83309   0.00024   0.00552  -0.02833  -0.02280  -2.85589
   D26        1.42421   0.00030   0.00695  -0.03574  -0.02872   1.39549
   D27       -0.71035  -0.00016   0.00890  -0.03952  -0.03061  -0.74096
   D28        0.95700   0.00017   0.00494  -0.00339   0.00152   0.95852
   D29       -1.17800   0.00009   0.00491  -0.00683  -0.00190  -1.17990
   D30        3.05338  -0.00016   0.00570  -0.01169  -0.00598   3.04740
   D31        2.88964   0.00027   0.00740  -0.01033  -0.00301   2.88663
   D32        0.75464   0.00018   0.00738  -0.01377  -0.00643   0.74821
   D33       -1.29717  -0.00006   0.00816  -0.01863  -0.01051  -1.30768
   D34       -1.22495   0.00010   0.00641  -0.01162  -0.00524  -1.23019
   D35        2.92323   0.00001   0.00638  -0.01506  -0.00866   2.91457
   D36        0.87142  -0.00024   0.00717  -0.01992  -0.01274   0.85868
   D37        1.03941   0.00011  -0.00601   0.00644   0.00040   1.03981
   D38       -3.12588  -0.00009  -0.00364  -0.00198  -0.00566  -3.13154
   D39       -1.07242   0.00000  -0.00486   0.00074  -0.00416  -1.07658
   D40       -0.89266   0.00019  -0.00736   0.01420   0.00690  -0.88576
   D41        1.22523  -0.00001  -0.00498   0.00579   0.00085   1.22608
   D42       -3.00449   0.00008  -0.00621   0.00851   0.00234  -3.00214
   D43       -3.11864   0.00003  -0.00804   0.01645   0.00840  -3.11024
   D44       -1.00075  -0.00017  -0.00567   0.00803   0.00235  -0.99840
   D45        1.05272  -0.00008  -0.00689   0.01075   0.00385   1.05656
   D46        1.07656  -0.00018  -0.00034  -0.01346  -0.01380   1.06276
   D47       -3.05400  -0.00026   0.00008  -0.01786  -0.01777  -3.07176
   D48       -0.96063  -0.00005   0.00249  -0.01842  -0.01592  -0.97656
   D49       -3.10895  -0.00004   0.00071  -0.01189  -0.01123  -3.12018
   D50       -0.95632  -0.00012   0.00113  -0.01629  -0.01520  -0.97152
   D51        1.13704   0.00008   0.00354  -0.01686  -0.01335   1.12369
   D52       -0.99314  -0.00005   0.00141  -0.01624  -0.01483  -1.00797
   D53        1.15949  -0.00013   0.00183  -0.02064  -0.01880   1.14069
   D54       -3.03034   0.00007   0.00425  -0.02121  -0.01695  -3.04729
   D55       -0.62918  -0.00008   0.00073   0.01309   0.01388  -0.61530
   D56        1.46447  -0.00012   0.00360   0.00782   0.01141   1.47588
   D57       -2.74752  -0.00010   0.00224   0.01057   0.01283  -2.73469
   D58       -2.79272   0.00028   0.00061   0.00992   0.01063  -2.78209
   D59       -0.69907   0.00024   0.00348   0.00465   0.00817  -0.69091
   D60        1.37212   0.00026   0.00213   0.00740   0.00958   1.38171
   D61        1.36089  -0.00006  -0.00059   0.01124   0.01069   1.37159
   D62       -2.82865  -0.00010   0.00228   0.00597   0.00823  -2.82042
   D63       -0.75745  -0.00008   0.00093   0.00872   0.00965  -0.74780
   D64        1.12885  -0.00009   0.00147  -0.01179  -0.01030   1.11855
   D65       -0.86887   0.00038   0.00252  -0.00273  -0.00018  -0.86905
   D66        3.13381  -0.00033   0.00114  -0.01593  -0.01476   3.11904
   D67       -1.01971  -0.00015   0.00014  -0.00486  -0.00472  -1.02443
   D68       -3.01742   0.00032   0.00119   0.00420   0.00539  -3.01203
   D69        0.98526  -0.00039  -0.00019  -0.00901  -0.00919   0.97606
   D70       -3.09407  -0.00008   0.00082  -0.00754  -0.00672  -3.10079
   D71        1.19140   0.00039   0.00187   0.00152   0.00339   1.19479
   D72       -1.08911  -0.00032   0.00049  -0.01169  -0.01119  -1.10030
   D73       -3.06778   0.00001  -0.00025   0.01240   0.01213  -3.05565
   D74        1.08992   0.00002  -0.00195   0.01459   0.01262   1.10254
   D75       -0.92787  -0.00012  -0.00102   0.01243   0.01139  -0.91648
   D76       -0.93983   0.00013   0.00065   0.00788   0.00853  -0.93131
   D77       -3.06532   0.00013  -0.00106   0.01007   0.00902  -3.05631
   D78        1.20007   0.00000  -0.00012   0.00791   0.00779   1.20786
   D79        1.11739  -0.00014  -0.00239   0.01209   0.00969   1.12708
   D80       -1.00810  -0.00013  -0.00410   0.01427   0.01018  -0.99792
   D81       -3.02589  -0.00027  -0.00316   0.01212   0.00896  -3.01694
   D82        2.92076   0.00046  -0.00147   0.03708   0.03561   2.95637
   D83       -1.29601  -0.00018  -0.00146   0.02357   0.02213  -1.27387
   D84        0.85060  -0.00005   0.00054   0.02501   0.02555   0.87615
   D85       -1.31680   0.00059  -0.00117   0.02884   0.02769  -1.28911
   D86        0.74961  -0.00005  -0.00115   0.01534   0.01422   0.76383
   D87        2.89622   0.00008   0.00085   0.01677   0.01763   2.91385
   D88        0.93307   0.00092   0.00036   0.04121   0.04161   0.97468
   D89        2.99949   0.00027   0.00038   0.02771   0.02813   3.02762
   D90       -1.13709   0.00041   0.00238   0.02915   0.03155  -1.10554
   D91        1.08099   0.00015   0.00041  -0.00402  -0.00360   1.07738
   D92       -3.13917   0.00007  -0.00015  -0.00663  -0.00678   3.13724
   D93       -1.05973   0.00010   0.00002  -0.00255  -0.00252  -1.06225
   D94       -0.95879  -0.00008  -0.00030   0.00129   0.00100  -0.95779
   D95        1.10424  -0.00016  -0.00087  -0.00132  -0.00218   1.10206
   D96       -3.09951  -0.00013  -0.00069   0.00276   0.00208  -3.09743
   D97        3.05415  -0.00045  -0.00180  -0.00987  -0.01168   3.04247
   D98       -1.16601  -0.00054  -0.00236  -0.01248  -0.01485  -1.18086
   D99        0.91344  -0.00050  -0.00219  -0.00840  -0.01060   0.90284
   D100      -1.79401  -0.00021  -0.00801   0.04375   0.03574  -1.75827
   D101       0.35398   0.00003  -0.00633   0.04451   0.03820   0.39218
   D102       2.44696   0.00008  -0.00827   0.05057   0.04235   2.48932
   D103       0.29985   0.00003  -0.00755   0.04716   0.03953   0.33939
   D104       2.44784   0.00027  -0.00588   0.04792   0.04200   2.48984
   D105      -1.74235   0.00032  -0.00782   0.05398   0.04615  -1.69621
   D106       2.46044  -0.00031  -0.01023   0.04607   0.03579   2.49623
   D107      -1.67476  -0.00007  -0.00855   0.04683   0.03826  -1.63650
   D108       0.41823  -0.00002  -0.01050   0.05289   0.04241   0.46064
   D109      -2.59263   0.00023   0.01380  -0.05023  -0.03625  -2.62888
   D110       0.55280  -0.00065   0.00292  -0.09121  -0.08843   0.46437
   D111       1.50976   0.00009   0.01126  -0.04533  -0.03398   1.47577
   D112      -1.62800  -0.00078   0.00038  -0.08631  -0.08617  -1.71417
   D113      -0.56000   0.00066   0.01349  -0.04223  -0.02853  -0.58852
   D114       2.58544  -0.00021   0.00261  -0.08321  -0.08071   2.50472
   D115       0.19921  -0.00032   0.00409  -0.03734  -0.03327   0.16595
   D116      -1.93734  -0.00071   0.00191  -0.03928  -0.03740  -1.97474
   D117       2.22335  -0.00029   0.00251  -0.03596  -0.03349   2.18987
   D118      -1.90547  -0.00013   0.00235  -0.03515  -0.03276  -1.93823
   D119       2.24116  -0.00052   0.00017  -0.03709  -0.03689   2.20427
   D120       0.11867  -0.00010   0.00078  -0.03377  -0.03298   0.08569
   D121       2.31480  -0.00003   0.00323  -0.03496  -0.03173   2.28307
   D122       0.17824  -0.00042   0.00105  -0.03690  -0.03586   0.14239
   D123      -1.94425   0.00000   0.00165  -0.03357  -0.03195  -1.97619
   D124       1.31086   0.00022  -0.00317  -0.01251  -0.01565   1.29521
   D125      -0.79763  -0.00006  -0.00302  -0.00813  -0.01113  -0.80876
   D126      -2.94846   0.00001  -0.00330  -0.01187  -0.01513  -2.96359
   D127      -2.82523   0.00029  -0.00460  -0.00536  -0.00995  -2.83518
   D128       1.34946   0.00001  -0.00445  -0.00098  -0.00544   1.34403
   D129      -0.80136   0.00008  -0.00473  -0.00471  -0.00944  -0.81080
   D130      -0.80486   0.00007  -0.00493  -0.00528  -0.01021  -0.81507
   D131      -2.91335  -0.00022  -0.00478  -0.00089  -0.00570  -2.91905
   D132       1.21901  -0.00015  -0.00506  -0.00463  -0.00970   1.20931
   D133       1.06617   0.00020  -0.00130   0.00385   0.00263   1.06879
   D134      -3.11080   0.00009  -0.00118   0.00296   0.00185  -3.10895
   D135      -0.99775   0.00002  -0.00036   0.00057   0.00028  -0.99747
   D136      -3.13964   0.00019   0.00038   0.00314   0.00345  -3.13619
   D137      -1.03342   0.00009   0.00050   0.00225   0.00268  -1.03074
   D138       1.07963   0.00001   0.00132  -0.00014   0.00110   1.08073
   D139      -1.01417  -0.00019   0.00098  -0.00474  -0.00376  -1.01794
   D140       1.09204  -0.00029   0.00110  -0.00563  -0.00454   1.08750
   D141      -3.07809  -0.00037   0.00192  -0.00802  -0.00611  -3.08421
   D142       0.96423   0.00022   0.00023   0.00343   0.00367   0.96791
   D143      -2.19615   0.00019  -0.00044  -0.00031  -0.00073  -2.19689
   D144      -1.15305  -0.00034   0.00022  -0.00036  -0.00013  -1.15318
   D145       1.96974  -0.00037  -0.00044  -0.00410  -0.00454   1.96521
   D146       3.07913   0.00000  -0.00022   0.00358   0.00337   3.08250
   D147      -0.08126  -0.00003  -0.00088  -0.00016  -0.00104  -0.08229
   D148      -0.88601  -0.00012   0.00398  -0.01431  -0.01034  -0.89635
   D149       1.19318   0.00011   0.00273  -0.00902  -0.00628   1.18690
   D150      -2.98874  -0.00004   0.00287  -0.01066  -0.00779  -2.99653
   D151       1.18128  -0.00005   0.00281  -0.01409  -0.01128   1.17001
   D152      -3.02271   0.00018   0.00157  -0.00879  -0.00723  -3.02994
   D153      -0.92145   0.00003   0.00170  -0.01043  -0.00873  -0.93018
   D154      -2.99333  -0.00011   0.00394  -0.01869  -0.01475  -3.00809
   D155      -0.91414   0.00013   0.00269  -0.01340  -0.01070  -0.92484
   D156       1.18712  -0.00002   0.00283  -0.01504  -0.01221   1.17492
   D157       2.17243  -0.00017  -0.00013  -0.00162  -0.00174   2.17069
   D158      -0.99755  -0.00015  -0.00002   0.00090   0.00089  -0.99666
   D159       0.07795  -0.00004   0.00083  -0.00126  -0.00043   0.07752
   D160      -3.09203  -0.00002   0.00095   0.00127   0.00221  -3.08982
   D161      -1.97627   0.00039   0.00045   0.00549   0.00594  -1.97033
   D162       1.13693   0.00040   0.00056   0.00801   0.00857   1.14551
   D163       0.89669   0.00001  -0.00022   0.00068   0.00045   0.89714
   D164      -1.22997  -0.00013  -0.00117  -0.00019  -0.00137  -1.23134
   D165       3.04584  -0.00008   0.00011  -0.00206  -0.00195   3.04390
   D166       3.02331   0.00007   0.00151  -0.00160  -0.00011   3.02320
   D167       0.89665  -0.00007   0.00055  -0.00247  -0.00193   0.89472
   D168      -1.11072  -0.00003   0.00184  -0.00434  -0.00251  -1.11323
   D169      -1.25002   0.00002   0.00027  -0.00077  -0.00051  -1.25053
   D170       2.90651  -0.00012  -0.00068  -0.00164  -0.00233   2.90418
   D171       0.89914  -0.00008   0.00060  -0.00351  -0.00291   0.89623
   D172      -0.94325  -0.00031  -0.00035  -0.00595  -0.00629  -0.94953
   D173       2.21690  -0.00028   0.00034  -0.00228  -0.00194   2.21496
   D174       1.19653  -0.00030   0.00016  -0.00597  -0.00581   1.19072
   D175      -1.92651  -0.00027   0.00085  -0.00231  -0.00146  -1.92797
   D176      -3.07599  -0.00004  -0.00073  -0.00249  -0.00322  -3.07921
   D177       0.08416  -0.00001  -0.00005   0.00117   0.00112   0.08529
   D178       0.02940   0.00008   0.00095   0.00049   0.00144   0.03084
   D179      -3.12763   0.00000   0.00007   0.00161   0.00168  -3.12595
   D180      -3.13204   0.00005   0.00024  -0.00348  -0.00325  -3.13529
   D181      -0.00588  -0.00003  -0.00064  -0.00236  -0.00301  -0.00890
   D182      -0.30096  -0.00052   0.00695  -0.11339  -0.10626  -0.40721
   D183      -2.33547  -0.00032   0.01220  -0.12751  -0.11514  -2.45061
   D184       1.80741  -0.00041   0.01106  -0.12517  -0.11395   1.69346
   D185       2.83690   0.00034   0.01775  -0.07340  -0.05581   2.78109
   D186       0.80238   0.00054   0.02300  -0.08752  -0.06469   0.73769
   D187      -1.33793   0.00044   0.02186  -0.08518  -0.06350  -1.40143
   D188      -0.02187   0.00008  -0.00083   0.00227   0.00144  -0.02043
   D189       3.11990   0.00008   0.00005   0.00313   0.00318   3.12307
   D190      -3.13365   0.00008  -0.00088  -0.00044  -0.00131  -3.13496
   D191       0.00812   0.00007   0.00001   0.00042   0.00043   0.00855
   D192      -3.10917  -0.00003  -0.00108   0.00564   0.00455  -3.10461
   D193       0.03309  -0.00008  -0.00094   0.00054  -0.00040   0.03269
   D194       0.04674   0.00003  -0.00028   0.00461   0.00433   0.05106
   D195      -3.09419  -0.00001  -0.00014  -0.00048  -0.00062  -3.09481
   D196       3.10505  -0.00006   0.00098  -0.00692  -0.00593   3.09912
   D197      -0.03720  -0.00002   0.00084  -0.00190  -0.00105  -0.03825
   D198      -0.03670  -0.00006   0.00017  -0.00771  -0.00754  -0.04424
   D199       3.10424  -0.00002   0.00003  -0.00269  -0.00266   3.10158
         Item               Value     Threshold  Converged?
 Maximum Force            0.007926     0.000450     NO 
 RMS     Force            0.000803     0.000300     NO 
 Maximum Displacement     0.500128     0.001800     NO 
 RMS     Displacement     0.058011     0.001200     NO 
 Predicted change in Energy=-6.116775D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C22H29FO5
 Framework group  C1[X(C22H29FO5)]
 Deg. of freedom   165
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          9           0        1.520819    0.028138   -1.390450
      2          8           0       -3.002898    0.403114   -1.811030
      3          8           0        0.358101   -2.154325    1.201881
      4          8           0       -4.830651   -0.229641    1.078744
      5          8           0       -5.535367   -2.448240   -0.278058
      6          8           0        6.478886   -0.189968   -1.424451
      7          6           0       -1.654265   -0.140835    0.223350
      8          6           0       -0.760871    1.119892    0.000002
      9          6           0        0.629493    0.936171    0.618877
     10          6           0        1.330778   -0.276421   -0.058274
     11          6           0       -3.001041    0.391208   -0.381212
     12          6           0       -1.638862    2.283977    0.493135
     13          6           0       -1.023421   -1.331189   -0.520879
     14          6           0       -3.088725    1.883363    0.099989
     15          6           0        0.440720   -1.566993   -0.108439
     16          6           0        2.779497   -0.492797    0.516678
     17          6           0        1.465711    2.218794    0.480115
     18          6           0       -1.863817   -0.506806    1.694127
     19          6           0        2.901713    2.029173    0.980764
     20          6           0        3.545843    0.822346    0.359911
     21          6           0       -4.234172   -0.422501    0.044020
     22          6           0       -3.684097    2.791973   -0.967706
     23          6           0        2.777332   -0.841290    2.017444
     24          6           0        3.457183   -1.642436   -0.208187
     25          6           0        4.730103    0.901984   -0.264782
     26          6           0       -4.734697   -1.469659   -0.937966
     27          6           0        4.633045   -1.543567   -0.831265
     28          6           0        5.389681   -0.260252   -0.893035
     29          1           0       -0.636173    1.266745   -1.106712
     30          1           0        0.522129    0.690011    1.706657
     31          1           0       -1.557045    2.423114    1.584749
     32          1           0       -1.338929    3.242547    0.038517
     33          1           0       -1.075945   -1.181114   -1.620863
     34          1           0       -1.591065   -2.259640   -0.294423
     35          1           0       -3.736471    1.916517    1.011144
     36          1           0        0.899989   -2.311284   -0.803925
     37          1           0        0.982959    3.039306    1.046204
     38          1           0        1.481664    2.559157   -0.576442
     39          1           0       -2.341057    0.297666    2.265069
     40          1           0       -2.487522   -1.402594    1.810377
     41          1           0       -0.908897   -0.749192    2.186569
     42          1           0        2.919608    1.929153    2.087130
     43          1           0        3.488679    2.947399    0.766249
     44          1           0       -4.707825    2.491216   -1.222444
     45          1           0       -3.712217    3.835709   -0.638850
     46          1           0       -3.107806    2.743432   -1.903244
     47          1           0        2.185642   -0.124932    2.602225
     48          1           0        2.344848   -1.830729    2.217562
     49          1           0        3.798069   -0.841182    2.421880
     50          1           0       -2.384981   -0.269659   -2.182159
     51          1           0        2.925859   -2.593928   -0.171487
     52          1           0        1.080805   -2.800861    1.338110
     53          1           0        5.279668    1.840059   -0.361575
     54          1           0       -3.925934   -2.054351   -1.410809
     55          1           0       -5.343864   -0.980411   -1.728867
     56          1           0        5.113120   -2.385035   -1.332924
     57          1           0       -5.982025   -2.042670    0.509638
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.4201806      0.1031325      0.0948964
 Standard basis: VSTO-6G (5D, 7F)
 There are   141 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   141 basis functions,   846 primitive gaussians,   141 cartesian basis functions
    77 alpha electrons       77 beta electrons
       nuclear repulsion energy      1659.7289642255 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   141 RedAO= F  NBF=   141
 NBsUse=   141 1.00D-04 NBFU=   141
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=982442.
 SCF Done:  E(RPM6) = -0.413249450637     A.U. after   14 cycles
             Convg  =    0.6942D-08             -V/T =  0.9987
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        9           0.000323611    0.000257520    0.000058669
      2        8          -0.000597684    0.001200933    0.001827567
      3        8           0.000266574    0.000619718    0.000734237
      4        8           0.000896723    0.000553631   -0.001318776
      5        8           0.000415337   -0.000045976    0.000046134
      6        8          -0.000478336   -0.000034016   -0.000087551
      7        6           0.001847319    0.000475248    0.000499677
      8        6          -0.000324199    0.000006030   -0.000658673
      9        6          -0.000036155    0.000189104   -0.000203799
     10        6          -0.000237105   -0.000184372    0.000195255
     11        6          -0.001296111    0.000024066   -0.002762502
     12        6           0.000445878    0.000242046   -0.000436867
     13        6          -0.000305776   -0.001330403    0.000434100
     14        6           0.000947324   -0.001224505    0.001406732
     15        6           0.000661312   -0.000554848   -0.000765684
     16        6           0.000135805    0.001035718   -0.000212919
     17        6           0.000135726    0.000167729    0.000211335
     18        6          -0.000428426   -0.000606960    0.000384809
     19        6          -0.000146634   -0.000190810    0.000038303
     20        6           0.000431724   -0.000424459    0.000237917
     21        6          -0.000926327   -0.002039350    0.001182513
     22        6          -0.000011688    0.000369436   -0.000490753
     23        6          -0.001031228    0.000705249    0.000540430
     24        6           0.000001095   -0.000107668    0.000094090
     25        6          -0.000925369   -0.000415367   -0.000313353
     26        6           0.000203700    0.000845891    0.000243316
     27        6          -0.000909430   -0.000235482   -0.000391140
     28        6           0.001412682    0.000395113    0.000353434
     29        1          -0.000106516   -0.000032183   -0.000040064
     30        1          -0.000103494    0.000292569   -0.000094982
     31        1           0.000039607    0.000044516    0.000408195
     32        1          -0.000195612    0.000737164    0.000238279
     33        1          -0.000394570   -0.000106628   -0.000591782
     34        1          -0.000119078    0.000085800    0.000357875
     35        1          -0.000193498    0.000386337   -0.000040224
     36        1           0.000000756   -0.000297779   -0.000489638
     37        1          -0.000117028   -0.000007918   -0.000065157
     38        1           0.000052504    0.000251769   -0.000305899
     39        1           0.000040463    0.000326179   -0.000031776
     40        1          -0.000155274   -0.000314713    0.000158932
     41        1           0.000229129   -0.000337858    0.000093842
     42        1          -0.000187973   -0.000035186    0.000005136
     43        1           0.000033430   -0.000075474   -0.000031341
     44        1          -0.000010105   -0.000084559   -0.000192345
     45        1          -0.000058831    0.000134267   -0.000023686
     46        1           0.000147978    0.000047322   -0.000156206
     47        1           0.000018150   -0.000164357    0.000060127
     48        1          -0.000006542   -0.000078863    0.000530314
     49        1           0.000031750    0.000086134    0.000118867
     50        1           0.000505906   -0.000719292   -0.000465316
     51        1          -0.000385209   -0.000012011   -0.000241220
     52        1           0.001041592   -0.000435012   -0.000697579
     53        1           0.000116693    0.000045757    0.000089897
     54        1           0.000026096    0.000165169    0.000486081
     55        1           0.000309378    0.000506994    0.000219193
     56        1           0.000107703    0.000020737    0.000099171
     57        1          -0.001137746   -0.000122097   -0.000245196
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.002762502 RMS     0.000573883

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.002092376 RMS     0.000377224
 Search for a local minimum.
 Step number   8 out of a maximum of  342
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points    7    8
 DE= -4.54D-04 DEPred=-6.12D-04 R= 7.42D-01
 SS=  1.41D+00  RLast= 4.12D-01 DXNew= 3.7243D+00 1.2362D+00
 Trust test= 7.42D-01 RLast= 4.12D-01 DXMaxT set to 2.21D+00
     Eigenvalues ---    0.00182   0.00236   0.00251   0.00268   0.00424
     Eigenvalues ---    0.00431   0.00505   0.00577   0.00628   0.00697
     Eigenvalues ---    0.00706   0.00951   0.01090   0.01279   0.01315
     Eigenvalues ---    0.01396   0.01426   0.01466   0.01637   0.01707
     Eigenvalues ---    0.01777   0.01826   0.02088   0.02230   0.02310
     Eigenvalues ---    0.02408   0.03021   0.03335   0.03675   0.03755
     Eigenvalues ---    0.03911   0.04030   0.04239   0.04387   0.04498
     Eigenvalues ---    0.04663   0.04795   0.04879   0.04960   0.04963
     Eigenvalues ---    0.05067   0.05154   0.05219   0.05308   0.05327
     Eigenvalues ---    0.05372   0.05415   0.05427   0.05519   0.05610
     Eigenvalues ---    0.05762   0.05918   0.06189   0.06206   0.06497
     Eigenvalues ---    0.06791   0.06916   0.07045   0.07098   0.07299
     Eigenvalues ---    0.07440   0.07689   0.08117   0.08192   0.08283
     Eigenvalues ---    0.08296   0.08467   0.09080   0.09287   0.10576
     Eigenvalues ---    0.11254   0.11709   0.11803   0.12827   0.13498
     Eigenvalues ---    0.13727   0.14476   0.14961   0.15048   0.15720
     Eigenvalues ---    0.15862   0.15994   0.15996   0.15999   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16003
     Eigenvalues ---    0.16020   0.16053   0.16189   0.16313   0.16662
     Eigenvalues ---    0.17221   0.18007   0.19247   0.19559   0.20612
     Eigenvalues ---    0.21219   0.22128   0.22462   0.22909   0.24080
     Eigenvalues ---    0.24680   0.24904   0.25000   0.25474   0.25796
     Eigenvalues ---    0.26582   0.26652   0.27311   0.27708   0.28023
     Eigenvalues ---    0.28306   0.28526   0.28884   0.29201   0.29356
     Eigenvalues ---    0.29637   0.30544   0.30985   0.31967   0.32650
     Eigenvalues ---    0.33266   0.33404   0.33794   0.33818   0.33887
     Eigenvalues ---    0.33958   0.33986   0.34053   0.34062   0.34100
     Eigenvalues ---    0.34121   0.34185   0.34216   0.34240   0.34248
     Eigenvalues ---    0.34277   0.34281   0.34290   0.34357   0.34363
     Eigenvalues ---    0.34453   0.34540   0.34647   0.34902   0.35055
     Eigenvalues ---    0.35288   0.35411   0.35594   0.37257   0.42371
     Eigenvalues ---    0.43855   0.47707   0.48746   0.52599   0.52918
     Eigenvalues ---    0.53483   0.54158   0.57920   0.88945   0.92321
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:     8    7    6
 RFO step:  Lambda=-1.42763794D-04.
 DIIS coeffs:      0.74086      0.12065      0.13849
 Iteration  1 RMS(Cart)=  0.02246635 RMS(Int)=  0.00028933
 Iteration  2 RMS(Cart)=  0.00040126 RMS(Int)=  0.00002557
 Iteration  3 RMS(Cart)=  0.00000015 RMS(Int)=  0.00002557
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.60725   0.00006  -0.00003  -0.00053  -0.00056   2.60669
    R2        2.70206   0.00138  -0.00030   0.00635   0.00605   2.70811
    R3        1.86326  -0.00032   0.00014  -0.00063  -0.00049   1.86277
    R4        2.71800  -0.00006   0.00175  -0.00323  -0.00148   2.71652
    R5        1.85045   0.00063  -0.00065   0.00190   0.00125   1.85170
    R6        2.28621   0.00053  -0.00053   0.00016  -0.00037   2.28584
    R7        2.69521   0.00039  -0.00178   0.00249   0.00071   2.69592
    R8        1.87498   0.00078  -0.00154   0.00307   0.00153   1.87651
    R9        2.29406  -0.00047  -0.00051  -0.00010  -0.00061   2.29345
   R10        2.95032  -0.00086  -0.00075  -0.00190  -0.00263   2.94769
   R11        2.96535   0.00040  -0.00026   0.00214   0.00194   2.96729
   R12        2.90845  -0.00066  -0.00107  -0.00148  -0.00253   2.90592
   R13        2.89136  -0.00072  -0.00078   0.00015  -0.00062   2.89074
   R14        2.89682  -0.00013  -0.00033   0.00058   0.00025   2.89707
   R15        2.90867  -0.00089  -0.00209   0.00054  -0.00162   2.90705
   R16        2.12284  -0.00005  -0.00078   0.00145   0.00068   2.12351
   R17        2.94016  -0.00069  -0.00017  -0.00215  -0.00233   2.93782
   R18        2.90529  -0.00024  -0.00154   0.00051  -0.00102   2.90427
   R19        2.11733   0.00015   0.00150  -0.00056   0.00094   2.11826
   R20        2.96410  -0.00209  -0.00069  -0.00380  -0.00451   2.95959
   R21        2.97365  -0.00194  -0.00005  -0.00184  -0.00189   2.97176
   R22        2.96739  -0.00002   0.00239  -0.00059   0.00185   2.96924
   R23        2.90524  -0.00008   0.00205  -0.00177   0.00028   2.90552
   R24        2.93800  -0.00004  -0.00242   0.00307   0.00060   2.93860
   R25        2.08528  -0.00041  -0.00076  -0.00023  -0.00099   2.08429
   R26        2.08341  -0.00057   0.00106  -0.00331  -0.00225   2.08116
   R27        2.90884   0.00061  -0.00096   0.00123   0.00028   2.90912
   R28        2.10027  -0.00057  -0.00049  -0.00059  -0.00108   2.09919
   R29        2.10051   0.00004  -0.00085   0.00127   0.00042   2.10093
   R30        2.87835  -0.00092  -0.00129   0.00059  -0.00070   2.87766
   R31        2.11352   0.00012   0.00006   0.00121   0.00126   2.11478
   R32        2.11159  -0.00049  -0.00239   0.00220  -0.00020   2.11140
   R33        2.89163   0.00046   0.00102   0.00035   0.00137   2.89300
   R34        2.91150  -0.00112  -0.00082  -0.00158  -0.00240   2.90910
   R35        2.86987  -0.00078  -0.00009  -0.00256  -0.00265   2.86722
   R36        2.89610   0.00001  -0.00064  -0.00066  -0.00130   2.89480
   R37        2.09303   0.00009   0.00006   0.00027   0.00033   2.09336
   R38        2.09786  -0.00036   0.00001  -0.00125  -0.00124   2.09662
   R39        2.07087  -0.00025  -0.00053   0.00038  -0.00015   2.07072
   R40        2.07436  -0.00019  -0.00094   0.00086  -0.00008   2.07429
   R41        2.08138   0.00009   0.00123  -0.00096   0.00027   2.08165
   R42        2.83887   0.00038  -0.00025   0.00119   0.00094   2.83980
   R43        2.09953  -0.00001  -0.00009   0.00033   0.00023   2.09976
   R44        2.09894   0.00007   0.00011   0.00005   0.00016   2.09911
   R45        2.53467  -0.00030  -0.00025  -0.00061  -0.00086   2.53381
   R46        2.87298   0.00150   0.00059   0.00526   0.00584   2.87883
   R47        2.07299  -0.00006   0.00019  -0.00021  -0.00002   2.07297
   R48        2.06864  -0.00012  -0.00057   0.00052  -0.00005   2.06859
   R49        2.07844  -0.00005   0.00032  -0.00040  -0.00008   2.07836
   R50        2.07460   0.00007   0.00040  -0.00013   0.00028   2.07488
   R51        2.07533  -0.00019  -0.00026  -0.00013  -0.00039   2.07494
   R52        2.07481  -0.00002  -0.00082   0.00105   0.00023   2.07504
   R53        2.52167  -0.00040  -0.00058  -0.00084  -0.00142   2.52025
   R54        2.06057   0.00019  -0.00043   0.00107   0.00064   2.06121
   R55        2.79049   0.00061   0.00038   0.00152   0.00191   2.79240
   R56        2.06264   0.00003   0.00061  -0.00074  -0.00013   2.06251
   R57        2.08688   0.00030   0.00295  -0.00250   0.00045   2.08733
   R58        2.10089  -0.00020  -0.00223   0.00248   0.00026   2.10115
   R59        2.81766   0.00025   0.00103  -0.00069   0.00034   2.81801
   R60        2.06162   0.00011   0.00059  -0.00059   0.00000   2.06162
    A1        1.94969  -0.00075  -0.00222   0.00398   0.00176   1.95144
    A2        1.93260   0.00040  -0.00089   0.00330   0.00241   1.93502
    A3        1.91727   0.00081   0.00143   0.00410   0.00553   1.92280
    A4        1.73373   0.00044   0.00415  -0.00032   0.00390   1.73764
    A5        1.89739  -0.00006  -0.00337   0.00228  -0.00110   1.89629
    A6        1.99220  -0.00045  -0.00198   0.00013  -0.00189   1.99030
    A7        2.01276  -0.00029   0.00032  -0.00027  -0.00004   2.01273
    A8        1.91123  -0.00034  -0.00204  -0.00098  -0.00302   1.90821
    A9        1.91343   0.00061   0.00280  -0.00075   0.00210   1.91552
   A10        1.94387  -0.00023  -0.00137  -0.00422  -0.00558   1.93829
   A11        1.81159  -0.00007   0.00032   0.00322   0.00358   1.81516
   A12        1.88601   0.00013  -0.00055  -0.00019  -0.00075   1.88526
   A13        2.06993   0.00026   0.00118  -0.00016   0.00096   2.07089
   A14        1.88886   0.00008  -0.00030   0.00400   0.00371   1.89256
   A15        1.85468  -0.00018   0.00066  -0.00274  -0.00205   1.85263
   A16        1.90341  -0.00025   0.00031  -0.00292  -0.00261   1.90080
   A17        1.93574   0.00043   0.00184   0.00131   0.00316   1.93890
   A18        1.90855  -0.00007  -0.00025  -0.00027  -0.00053   1.90803
   A19        1.94525  -0.00023  -0.00006  -0.00019  -0.00026   1.94499
   A20        1.86973   0.00019  -0.00236   0.00121  -0.00115   1.86858
   A21        1.89973  -0.00008   0.00035   0.00087   0.00122   1.90095
   A22        1.88628  -0.00020   0.00164   0.00244   0.00407   1.89036
   A23        1.80175   0.00050   0.00071   0.00097   0.00168   1.80343
   A24        1.83002   0.00017   0.00025   0.00088   0.00111   1.83113
   A25        1.98167   0.00043  -0.00018  -0.00204  -0.00222   1.97945
   A26        1.94241   0.00076  -0.00064   0.00401   0.00335   1.94575
   A27        2.00531  -0.00163  -0.00137  -0.00569  -0.00704   1.99826
   A28        1.97055  -0.00028   0.00015  -0.00317  -0.00307   1.96748
   A29        1.87386   0.00030  -0.00286   0.00578   0.00285   1.87672
   A30        1.85454  -0.00023   0.00379  -0.00484  -0.00100   1.85353
   A31        1.82559  -0.00040   0.00114  -0.00347  -0.00211   1.82348
   A32        1.98492   0.00039  -0.00062  -0.00036  -0.00104   1.98388
   A33        1.95347   0.00024  -0.00199   0.00686   0.00477   1.95824
   A34        1.82973   0.00034   0.00115   0.00125   0.00249   1.83222
   A35        1.94981  -0.00009  -0.00019   0.00101   0.00079   1.95060
   A36        1.95009  -0.00023  -0.00083  -0.00233  -0.00317   1.94692
   A37        1.93028  -0.00010   0.00191  -0.00187   0.00002   1.93030
   A38        1.95354  -0.00013  -0.00143  -0.00110  -0.00256   1.95097
   A39        1.85263   0.00020  -0.00060   0.00290   0.00231   1.85494
   A40        1.95928   0.00010   0.00143  -0.00318  -0.00171   1.95757
   A41        1.93347  -0.00038  -0.00290   0.00101  -0.00191   1.93156
   A42        1.91579   0.00011   0.00119   0.00086   0.00205   1.91783
   A43        1.90797   0.00029   0.00018   0.00194   0.00211   1.91008
   A44        1.87885  -0.00001   0.00063   0.00026   0.00088   1.87973
   A45        1.86533  -0.00011  -0.00053  -0.00079  -0.00132   1.86401
   A46        1.84447  -0.00008   0.00077   0.00014   0.00105   1.84552
   A47        1.95397   0.00011   0.00004   0.00295   0.00292   1.95689
   A48        1.88616  -0.00018  -0.00232  -0.00099  -0.00332   1.88284
   A49        1.96932   0.00020   0.00012   0.00233   0.00239   1.97172
   A50        1.90334   0.00000   0.00229  -0.00419  -0.00193   1.90141
   A51        1.90393  -0.00007  -0.00092  -0.00053  -0.00140   1.90253
   A52        1.91712  -0.00087  -0.00098  -0.00252  -0.00349   1.91364
   A53        1.82556   0.00116   0.00333  -0.00080   0.00253   1.82809
   A54        1.89509  -0.00024  -0.00227   0.00205  -0.00022   1.89487
   A55        2.00674  -0.00031  -0.00011  -0.00034  -0.00044   2.00630
   A56        1.91211   0.00002  -0.00142  -0.00015  -0.00156   1.91055
   A57        1.90309   0.00027   0.00144   0.00191   0.00335   1.90644
   A58        1.88122  -0.00014  -0.00065   0.00288   0.00221   1.88344
   A59        1.96678  -0.00078  -0.00107  -0.00348  -0.00456   1.96222
   A60        1.91827   0.00016  -0.00036  -0.00201  -0.00238   1.91589
   A61        1.87015   0.00076   0.00115   0.00434   0.00550   1.87565
   A62        1.95869   0.00015   0.00100   0.00033   0.00133   1.96002
   A63        1.86955  -0.00015  -0.00002  -0.00199  -0.00203   1.86753
   A64        1.95729  -0.00015   0.00000  -0.00202  -0.00204   1.95524
   A65        1.91223  -0.00010   0.00079  -0.00123  -0.00043   1.91180
   A66        1.92783   0.00009  -0.00046   0.00097   0.00052   1.92835
   A67        1.91038   0.00011   0.00073  -0.00030   0.00044   1.91082
   A68        1.91280   0.00002  -0.00007  -0.00012  -0.00018   1.91262
   A69        1.83959   0.00004  -0.00104   0.00299   0.00195   1.84153
   A70        1.96587   0.00030  -0.00090   0.00366   0.00277   1.96863
   A71        1.95499  -0.00015   0.00099  -0.00168  -0.00068   1.95431
   A72        1.94301  -0.00032   0.00002  -0.00287  -0.00284   1.94016
   A73        1.87177  -0.00015   0.00258  -0.00528  -0.00269   1.86907
   A74        1.88198  -0.00004  -0.00114   0.00109  -0.00005   1.88193
   A75        1.83971   0.00038  -0.00160   0.00518   0.00357   1.84328
   A76        1.94566  -0.00016  -0.00008  -0.00115  -0.00124   1.94442
   A77        1.93001  -0.00021   0.00017  -0.00178  -0.00161   1.92840
   A78        1.90688   0.00017   0.00071  -0.00093  -0.00022   1.90666
   A79        1.90956   0.00025   0.00018   0.00184   0.00201   1.91157
   A80        1.93661  -0.00003   0.00035  -0.00020   0.00016   1.93677
   A81        1.83199  -0.00001  -0.00139   0.00241   0.00102   1.83301
   A82        2.01902  -0.00008   0.00067   0.00045   0.00110   2.02012
   A83        2.14234  -0.00009  -0.00123   0.00010  -0.00114   2.14120
   A84        2.12158   0.00017   0.00057  -0.00041   0.00016   2.12175
   A85        2.15035  -0.00049  -0.00130  -0.00053  -0.00180   2.14855
   A86        2.09430   0.00052   0.00696  -0.00573   0.00126   2.09555
   A87        2.03753   0.00000  -0.00561   0.00661   0.00102   2.03855
   A88        1.94336  -0.00006   0.00031  -0.00043  -0.00012   1.94325
   A89        1.94790   0.00000  -0.00010   0.00007  -0.00003   1.94787
   A90        1.94455  -0.00023   0.00014  -0.00096  -0.00082   1.94373
   A91        1.88304  -0.00002   0.00012  -0.00126  -0.00114   1.88190
   A92        1.85392   0.00022  -0.00131   0.00356   0.00225   1.85616
   A93        1.88712   0.00012   0.00080  -0.00085  -0.00005   1.88707
   A94        1.95199  -0.00001  -0.00016   0.00055   0.00039   1.95238
   A95        1.96258  -0.00069  -0.00073  -0.00232  -0.00304   1.95954
   A96        1.93637   0.00000  -0.00041   0.00017  -0.00024   1.93613
   A97        1.85311   0.00036  -0.00112   0.00350   0.00239   1.85550
   A98        1.88051   0.00010   0.00152  -0.00078   0.00074   1.88125
   A99        1.87452   0.00029   0.00100  -0.00102  -0.00002   1.87450
   A100       2.16518   0.00003  -0.00087   0.00029  -0.00059   2.16459
   A101       2.01203  -0.00044  -0.00115  -0.00089  -0.00205   2.00999
   A102       2.10568   0.00041   0.00201   0.00062   0.00264   2.10832
   A103       2.14813  -0.00003   0.00111  -0.00115  -0.00004   2.14810
   A104       2.13753   0.00017   0.00014   0.00082   0.00096   2.13849
   A105       1.99743  -0.00014  -0.00126   0.00032  -0.00094   1.99649
   A106       1.93751   0.00019   0.00263  -0.00199   0.00067   1.93819
   A107       1.81932   0.00024  -0.00306   0.00315   0.00010   1.81942
   A108       1.90022  -0.00054   0.00167  -0.00445  -0.00274   1.89749
   A109       1.98245  -0.00008  -0.00676   0.00756   0.00080   1.98325
   A110       1.91430   0.00059   0.00207   0.00384   0.00594   1.92024
   A111       1.90676  -0.00045   0.00343  -0.00883  -0.00542   1.90134
   A112       2.12972   0.00026   0.00097  -0.00006   0.00091   2.13063
   A113       2.14757  -0.00003   0.00139  -0.00165  -0.00026   2.14731
   A114       2.00589  -0.00023  -0.00236   0.00171  -0.00065   2.00524
   A115       2.14294   0.00012   0.00117  -0.00100   0.00015   2.14310
   A116       2.12148   0.00021  -0.00017   0.00090   0.00071   2.12219
   A117       2.01876  -0.00033  -0.00100   0.00014  -0.00087   2.01788
    D1        0.45657  -0.00029   0.03570  -0.06794  -0.03233   0.42425
    D2        2.45950  -0.00075   0.03543  -0.07033  -0.03481   2.42469
    D3       -1.73078  -0.00044   0.03359  -0.06189  -0.02828  -1.75906
    D4       -1.57063   0.00082  -0.02053   0.06031   0.03979  -1.53085
    D5        2.54993   0.00097  -0.02190   0.06261   0.04072   2.59065
    D6        0.52000   0.00019  -0.02417   0.05988   0.03569   0.55569
    D7        0.50631   0.00056   0.03105  -0.00343   0.02761   0.53392
    D8        2.64717   0.00071   0.02249   0.00652   0.02900   2.67617
    D9       -1.60268   0.00007   0.02562  -0.00406   0.02159  -1.58110
   D10        3.05572  -0.00001  -0.00571  -0.00365  -0.00933   3.04639
   D11        0.80927  -0.00014  -0.00654  -0.00305  -0.00951   0.79976
   D12       -1.15503   0.00004  -0.00721  -0.00135  -0.00853  -1.16356
   D13       -1.11760  -0.00013  -0.00467  -0.00321  -0.00788  -1.12548
   D14        2.91913  -0.00026  -0.00551  -0.00261  -0.00806   2.91108
   D15        0.95483  -0.00008  -0.00617  -0.00092  -0.00708   0.94776
   D16        1.02430   0.00031  -0.00490  -0.00237  -0.00730   1.01700
   D17       -1.22215   0.00018  -0.00573  -0.00178  -0.00748  -1.22963
   D18        3.09673   0.00036  -0.00640  -0.00008  -0.00650   3.09023
   D19        1.33521   0.00029   0.01128  -0.00832   0.00296   1.33816
   D20       -0.69660   0.00032   0.01395  -0.01157   0.00235  -0.69424
   D21       -2.83304   0.00007   0.01599  -0.01748  -0.00151  -2.83455
   D22       -0.68839   0.00020   0.01261  -0.01071   0.00191  -0.68648
   D23       -2.72019   0.00023   0.01527  -0.01396   0.00130  -2.71889
   D24        1.42655  -0.00002   0.01731  -0.01987  -0.00256   1.42399
   D25       -2.85589  -0.00013   0.01029  -0.00872   0.00159  -2.85431
   D26        1.39549  -0.00010   0.01296  -0.01196   0.00098   1.39647
   D27       -0.74096  -0.00035   0.01500  -0.01788  -0.00288  -0.74384
   D28        0.95852  -0.00014   0.00352  -0.00017   0.00334   0.96187
   D29       -1.17990  -0.00031   0.00439  -0.00115   0.00321  -1.17669
   D30        3.04740  -0.00002   0.00607  -0.00133   0.00473   3.05213
   D31        2.88663   0.00021   0.00666   0.00073   0.00743   2.89406
   D32        0.74821   0.00004   0.00752  -0.00025   0.00730   0.75551
   D33       -1.30768   0.00034   0.00920  -0.00042   0.00881  -1.29887
   D34       -1.23019   0.00005   0.00645  -0.00139   0.00507  -1.22513
   D35        2.91457  -0.00012   0.00731  -0.00236   0.00494   2.91950
   D36        0.85868   0.00018   0.00900  -0.00254   0.00645   0.86513
   D37        1.03981   0.00004  -0.00487   0.01094   0.00609   1.04590
   D38       -3.13154  -0.00005  -0.00142   0.00548   0.00408  -3.12746
   D39       -1.07658   0.00011  -0.00278   0.00901   0.00626  -1.07032
   D40       -0.88576  -0.00006  -0.00763   0.01185   0.00418  -0.88157
   D41        1.22608  -0.00015  -0.00418   0.00639   0.00217   1.22825
   D42       -3.00214   0.00002  -0.00554   0.00993   0.00435  -2.99779
   D43       -3.11024   0.00011  -0.00856   0.01344   0.00490  -3.10534
   D44       -0.99840   0.00002  -0.00511   0.00798   0.00289  -0.99551
   D45        1.05656   0.00018  -0.00647   0.01152   0.00507   1.06163
   D46        1.06276   0.00031   0.00331   0.00713   0.01043   1.07319
   D47       -3.07176   0.00014   0.00467   0.00576   0.01042  -3.06135
   D48       -0.97656   0.00026   0.00610   0.00749   0.01358  -0.96297
   D49       -3.12018   0.00022   0.00348   0.00781   0.01129  -3.10889
   D50       -0.97152   0.00005   0.00484   0.00644   0.01128  -0.96024
   D51        1.12369   0.00017   0.00627   0.00817   0.01444   1.13813
   D52       -1.00797   0.00023   0.00497   0.00735   0.01233  -0.99565
   D53        1.14069   0.00006   0.00633   0.00599   0.01231   1.15300
   D54       -3.04729   0.00018   0.00776   0.00771   0.01548  -3.03181
   D55       -0.61530  -0.00001  -0.00302   0.01748   0.01445  -0.60085
   D56        1.47588   0.00003  -0.00010   0.01653   0.01643   1.49231
   D57       -2.73469   0.00007  -0.00155   0.01932   0.01775  -2.71694
   D58       -2.78209   0.00018  -0.00227   0.02050   0.01822  -2.76386
   D59       -0.69091   0.00021   0.00065   0.01955   0.02020  -0.67071
   D60        1.38171   0.00025  -0.00079   0.02233   0.02152   1.40323
   D61        1.37159   0.00004  -0.00324   0.01755   0.01433   1.38591
   D62       -2.82042   0.00008  -0.00032   0.01661   0.01630  -2.80411
   D63       -0.74780   0.00012  -0.00176   0.01939   0.01763  -0.73018
   D64        1.11855   0.00012   0.00383  -0.00970  -0.00588   1.11267
   D65       -0.86905  -0.00060   0.00205  -0.01128  -0.00924  -0.87830
   D66        3.11904   0.00062   0.00473  -0.00509  -0.00036   3.11869
   D67       -1.02443  -0.00010   0.00133  -0.00922  -0.00790  -1.03233
   D68       -3.01203  -0.00082  -0.00045  -0.01079  -0.01126  -3.02329
   D69        0.97606   0.00039   0.00223  -0.00460  -0.00237   0.97369
   D70       -3.10079   0.00001   0.00239  -0.01092  -0.00853  -3.10932
   D71        1.19479  -0.00071   0.00060  -0.01249  -0.01189   1.18290
   D72       -1.10030   0.00051   0.00329  -0.00630  -0.00301  -1.10330
   D73       -3.05565   0.00008  -0.00334  -0.00149  -0.00483  -3.06048
   D74        1.10254   0.00010  -0.00482   0.00110  -0.00372   1.09881
   D75       -0.91648   0.00007  -0.00376  -0.00237  -0.00613  -0.92260
   D76       -0.93131  -0.00010  -0.00170  -0.00444  -0.00614  -0.93744
   D77       -3.05631  -0.00007  -0.00318  -0.00185  -0.00503  -3.06133
   D78        1.20786  -0.00011  -0.00211  -0.00531  -0.00743   1.20043
   D79        1.12708  -0.00005  -0.00441  -0.00252  -0.00693   1.12015
   D80       -0.99792  -0.00002  -0.00589   0.00006  -0.00582  -1.00375
   D81       -3.01694  -0.00006  -0.00483  -0.00340  -0.00823  -3.02516
   D82        2.95637  -0.00081  -0.01040   0.00919  -0.00121   2.95516
   D83       -1.27387  -0.00014  -0.00690   0.00615  -0.00075  -1.27463
   D84        0.87615   0.00000  -0.00619   0.00831   0.00211   0.87827
   D85       -1.28911  -0.00054  -0.00810   0.01171   0.00359  -1.28552
   D86        0.76383   0.00012  -0.00460   0.00866   0.00405   0.76788
   D87        2.91385   0.00027  -0.00389   0.01082   0.00692   2.92077
   D88        0.97468  -0.00057  -0.01049   0.01016  -0.00033   0.97435
   D89        3.02762   0.00009  -0.00699   0.00712   0.00013   3.02775
   D90       -1.10554   0.00024  -0.00629   0.00928   0.00300  -1.10254
   D91        1.07738   0.00019   0.00126   0.01565   0.01691   1.09429
   D92        3.13724   0.00058   0.00163   0.02081   0.02244  -3.12351
   D93       -1.06225  -0.00001   0.00067   0.01466   0.01533  -1.04692
   D94       -0.95779  -0.00005  -0.00050   0.01030   0.00980  -0.94800
   D95        1.10206   0.00034  -0.00012   0.01546   0.01533   1.11739
   D96       -3.09743  -0.00024  -0.00109   0.00930   0.00822  -3.08921
   D97        3.04247   0.00011   0.00160   0.01462   0.01623   3.05870
   D98       -1.18086   0.00050   0.00198   0.01978   0.02176  -1.15910
   D99        0.90284  -0.00009   0.00101   0.01363   0.01465   0.91749
   D100      -1.75827  -0.00004  -0.01562   0.02489   0.00927  -1.74900
   D101       0.39218   0.00022  -0.01492   0.02963   0.01469   0.40687
   D102       2.48932   0.00008  -0.01754   0.03013   0.01256   2.50188
   D103       0.33939  -0.00043  -0.01624   0.02225   0.00602   0.34541
   D104       2.48984  -0.00017  -0.01555   0.02698   0.01144   2.50128
   D105      -1.69621  -0.00031  -0.01816   0.02749   0.00930  -1.68690
   D106       2.49623  -0.00008  -0.01740   0.02350   0.00612   2.50235
   D107      -1.63650   0.00018  -0.01670   0.02824   0.01154  -1.62496
   D108       0.46064   0.00005  -0.01932   0.02874   0.00941   0.47004
   D109      -2.62888  -0.00055   0.02035  -0.02737  -0.00702  -2.63590
   D110       0.46437   0.00009   0.02524  -0.01902   0.00620   0.47057
   D111       1.47577  -0.00028   0.01774  -0.01951  -0.00169   1.47408
   D112      -1.71417   0.00036   0.02263  -0.01116   0.01154  -1.70263
   D113      -0.58852  -0.00020   0.01810  -0.01968  -0.00165  -0.59017
   D114       2.50472   0.00044   0.02299  -0.01133   0.01158   2.51630
   D115       0.16595   0.00016   0.01186  -0.02490  -0.01309   0.15286
   D116      -1.97474  -0.00004   0.01120  -0.03007  -0.01889  -1.99363
   D117       2.18987  -0.00009   0.01067  -0.02799  -0.01733   2.17254
   D118      -1.93823   0.00011   0.01035  -0.02585  -0.01553  -1.95376
   D119       2.20427  -0.00009   0.00970  -0.03102  -0.02133   2.18294
   D120       0.08569  -0.00014   0.00916  -0.02894  -0.01977   0.06592
   D121       2.28307   0.00001   0.01078  -0.02755  -0.01679   2.26629
   D122       0.14239  -0.00019   0.01012  -0.03272  -0.02259   0.11980
   D123      -1.97619  -0.00024   0.00959  -0.03064  -0.02103  -1.99722
   D124       1.29521  -0.00017   0.00154  -0.00520  -0.00367   1.29155
   D125      -0.80876   0.00029   0.00049  -0.00131  -0.00082  -0.80959
   D126      -2.96359   0.00027   0.00130  -0.00237  -0.00108  -2.96467
   D127      -2.83518  -0.00038  -0.00107  -0.00470  -0.00577  -2.84096
   D128       1.34403   0.00008  -0.00212  -0.00081  -0.00293   1.34110
   D129      -0.81080   0.00006  -0.00131  -0.00187  -0.00318  -0.81398
   D130      -0.81507  -0.00036  -0.00127  -0.00448  -0.00575  -0.82082
   D131      -2.91905   0.00009  -0.00232  -0.00059  -0.00290  -2.92195
   D132       1.20931   0.00007  -0.00150  -0.00165  -0.00315   1.20616
   D133       1.06879  -0.00005  -0.00171  -0.00225  -0.00400   1.06479
   D134      -3.10895  -0.00012  -0.00142  -0.00410  -0.00556  -3.11451
   D135      -0.99747  -0.00013  -0.00036  -0.00581  -0.00622  -1.00369
   D136      -3.13619   0.00007  -0.00059   0.00164   0.00110  -3.13509
   D137      -1.03074  -0.00001  -0.00030  -0.00021  -0.00046  -1.03121
   D138       1.08073  -0.00002   0.00076  -0.00192  -0.00112   1.07962
   D139      -1.01794   0.00015   0.00175  -0.00251  -0.00076  -1.01870
   D140       1.08750   0.00008   0.00204  -0.00437  -0.00233   1.08518
   D141      -3.08421   0.00006   0.00310  -0.00608  -0.00298  -3.08718
   D142       0.96791  -0.00044  -0.00077  -0.00835  -0.00912   0.95879
   D143      -2.19689  -0.00031  -0.00016  -0.00170  -0.00185  -2.19874
   D144      -1.15318   0.00014   0.00021  -0.00827  -0.00807  -1.16125
   D145       1.96521   0.00027   0.00083  -0.00162  -0.00080   1.96441
   D146       3.08250  -0.00024  -0.00104  -0.00872  -0.00977   3.07273
   D147      -0.08229  -0.00010  -0.00043  -0.00207  -0.00250  -0.08480
   D148      -0.89635  -0.00008   0.00584  -0.02189  -0.01604  -0.91239
   D149       1.18690  -0.00010   0.00380  -0.01861  -0.01481   1.17209
   D150      -2.99653  -0.00020   0.00430  -0.02138  -0.01708  -3.01361
   D151       1.17001  -0.00021   0.00515  -0.01758  -0.01243   1.15758
   D152      -3.02994  -0.00024   0.00312  -0.01431  -0.01120  -3.04113
   D153      -0.93018  -0.00033   0.00361  -0.01708  -0.01347  -0.94364
   D154      -3.00809   0.00030   0.00695  -0.01592  -0.00898  -3.01706
   D155      -0.92484   0.00027   0.00491  -0.01265  -0.00775  -0.93259
   D156       1.17492   0.00017   0.00541  -0.01542  -0.01002   1.16490
   D157       2.17069   0.00022   0.00035   0.00458   0.00492   2.17561
   D158      -0.99666   0.00026  -0.00024   0.00525   0.00499  -0.99166
   D159       0.07752   0.00019   0.00077   0.00210   0.00288   0.08040
   D160      -3.08982   0.00022   0.00018   0.00277   0.00295  -3.08687
   D161      -1.97033  -0.00072  -0.00118  -0.00212  -0.00330  -1.97364
   D162       1.14551  -0.00069  -0.00177  -0.00146  -0.00323   1.14228
   D163       0.89714   0.00016  -0.00029   0.00812   0.00783   0.90497
   D164      -1.23134   0.00010  -0.00058   0.00781   0.00724  -1.22410
   D165       3.04390   0.00013   0.00059   0.00645   0.00704   3.05094
   D166       3.02320   0.00002   0.00122   0.00501   0.00623   3.02942
   D167       0.89472  -0.00004   0.00094   0.00470   0.00563   0.90036
   D168      -1.11323  -0.00001   0.00211   0.00333   0.00544  -1.10779
   D169      -1.25053   0.00014   0.00035   0.00836   0.00870  -1.24183
   D170       2.90418   0.00007   0.00006   0.00805   0.00811   2.91229
   D171       0.89623   0.00010   0.00123   0.00668   0.00791   0.90414
   D172      -0.94953   0.00023   0.00135  -0.00156  -0.00020  -0.94973
   D173       2.21496   0.00011   0.00077  -0.00813  -0.00736   2.20760
   D174       1.19072   0.00003   0.00164  -0.00332  -0.00168   1.18904
   D175      -1.92797  -0.00009   0.00105  -0.00989  -0.00884  -1.93681
   D176      -3.07921   0.00016   0.00025   0.00058   0.00084  -3.07837
   D177       0.08529   0.00003  -0.00033  -0.00599  -0.00632   0.07897
   D178       0.03084  -0.00007   0.00038  -0.00235  -0.00197   0.02888
   D179      -3.12595  -0.00006  -0.00038  -0.00307  -0.00345  -3.12940
   D180      -3.13529   0.00006   0.00103   0.00470   0.00573  -3.12956
   D181      -0.00890   0.00008   0.00027   0.00398   0.00424  -0.00465
   D182      -0.40721   0.00085   0.03305   0.02159   0.05465  -0.35256
   D183      -2.45061   0.00047   0.03952   0.01401   0.05354  -2.39707
   D184       1.69346   0.00067   0.03830   0.01729   0.05557   1.74903
   D185       2.78109   0.00026   0.02855   0.01339   0.04194   2.82303
   D186       0.73769  -0.00012   0.03502   0.00580   0.04083   0.77852
   D187      -1.40143   0.00009   0.03380   0.00908   0.04286  -1.35857
   D188      -0.02043  -0.00010  -0.00103   0.00224   0.00121  -0.01922
   D189       3.12307  -0.00002  -0.00078   0.00216   0.00138   3.12445
   D190      -3.13496  -0.00012  -0.00036   0.00156   0.00120  -3.13376
   D191       0.00855  -0.00004  -0.00010   0.00148   0.00137   0.00991
   D192      -3.10461  -0.00004  -0.00204  -0.00219  -0.00423  -3.10884
   D193       0.03269   0.00015  -0.00064   0.00650   0.00585   0.03855
   D194       0.05106  -0.00006  -0.00134  -0.00153  -0.00287   0.04819
   D195      -3.09481   0.00013   0.00005   0.00716   0.00721  -3.08760
   D196       3.09912   0.00011   0.00232   0.00212   0.00444   3.10356
   D197      -0.03825  -0.00007   0.00094  -0.00645  -0.00551  -0.04376
   D198      -0.04424   0.00003   0.00209   0.00219   0.00429  -0.03996
   D199       3.10158  -0.00015   0.00072  -0.00638  -0.00567   3.09591
         Item               Value     Threshold  Converged?
 Maximum Force            0.002092     0.000450     NO 
 RMS     Force            0.000377     0.000300     NO 
 Maximum Displacement     0.121018     0.001800     NO 
 RMS     Displacement     0.022455     0.001200     NO 
 Predicted change in Energy=-2.993036D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C22H29FO5
 Framework group  C1[X(C22H29FO5)]
 Deg. of freedom   165
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          9           0        1.523328    0.030044   -1.398900
      2          8           0       -3.010463    0.394871   -1.815023
      3          8           0        0.363292   -2.143147    1.197666
      4          8           0       -4.817762   -0.233596    1.091616
      5          8           0       -5.564048   -2.435953   -0.259104
      6          8           0        6.486078   -0.179667   -1.407623
      7          6           0       -1.649556   -0.135505    0.215922
      8          6           0       -0.756816    1.122857   -0.013569
      9          6           0        0.629847    0.936117    0.612989
     10          6           0        1.331217   -0.273230   -0.067033
     11          6           0       -3.002306    0.391923   -0.381978
     12          6           0       -1.632107    2.292911    0.467411
     13          6           0       -1.021696   -1.326098   -0.527677
     14          6           0       -3.086183    1.886746    0.094800
     15          6           0        0.442453   -1.561890   -0.114712
     16          6           0        2.776840   -0.499246    0.509260
     17          6           0        1.470517    2.216523    0.487258
     18          6           0       -1.852893   -0.494974    1.688831
     19          6           0        2.899074    2.018898    1.003763
     20          6           0        3.547566    0.816870    0.376967
     21          6           0       -4.229626   -0.426074    0.052284
     22          6           0       -3.703691    2.792097   -0.962513
     23          6           0        2.761719   -0.877894    2.001319
     24          6           0        3.452050   -1.638761   -0.230802
     25          6           0        4.735163    0.901599   -0.239694
     26          6           0       -4.724991   -1.489729   -0.919325
     27          6           0        4.631223   -1.534651   -0.845101
     28          6           0        5.395869   -0.254857   -0.879692
     29          1           0       -0.630380    1.261962   -1.121448
     30          1           0        0.515100    0.681878    1.698667
     31          1           0       -1.540302    2.452151    1.554948
     32          1           0       -1.337704    3.241001   -0.009373
     33          1           0       -1.076018   -1.174712   -1.626816
     34          1           0       -1.590100   -2.254716   -0.302731
     35          1           0       -3.719748    1.918273    1.016742
     36          1           0        0.904514   -2.307484   -0.806779
     37          1           0        0.983754    3.036197    1.051463
     38          1           0        1.500500    2.559343   -0.567509
     39          1           0       -2.332524    0.308142    2.259526
     40          1           0       -2.473289   -1.392252    1.810764
     41          1           0       -0.893650   -0.729198    2.177120
     42          1           0        2.901028    1.907732    2.109331
     43          1           0        3.490407    2.938133    0.805755
     44          1           0       -4.729966    2.486066   -1.200104
     45          1           0       -3.733036    3.835407   -0.632509
     46          1           0       -3.140958    2.747582   -1.906415
     47          1           0        2.177992   -0.164791    2.598229
     48          1           0        2.313936   -1.865182    2.175618
     49          1           0        3.780546   -0.902594    2.410124
     50          1           0       -2.372377   -0.258370   -2.186228
     51          1           0        2.913876   -2.587310   -0.212146
     52          1           0        1.107053   -2.762509    1.350547
     53          1           0        5.287669    1.839176   -0.322839
     54          1           0       -3.915872   -2.101987   -1.355828
     55          1           0       -5.301980   -1.014409   -1.742385
     56          1           0        5.109476   -2.369361   -1.359627
     57          1           0       -6.046722   -2.000417    0.491494
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.4211905      0.1030703      0.0948446
 Standard basis: VSTO-6G (5D, 7F)
 There are   141 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   141 basis functions,   846 primitive gaussians,   141 cartesian basis functions
    77 alpha electrons       77 beta electrons
       nuclear repulsion energy      1660.0316391186 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   141 RedAO= F  NBF=   141
 NBsUse=   141 1.00D-04 NBFU=   141
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=982442.
 SCF Done:  E(RPM6) = -0.413579851942     A.U. after   13 cycles
             Convg  =    0.6355D-08             -V/T =  0.9987
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        9           0.000330382   -0.000284750    0.000147793
      2        8          -0.001264108    0.000674184    0.000016938
      3        8          -0.001870611    0.001182663    0.000894507
      4        8           0.000331183    0.000187027   -0.000625220
      5        8           0.000593395   -0.000135629   -0.000017989
      6        8          -0.000110409    0.000017062   -0.000343793
      7        6           0.000004955    0.000081204    0.000019958
      8        6          -0.000191231   -0.000180475   -0.000104129
      9        6           0.000117435   -0.000351250    0.000226620
     10        6           0.000321944   -0.000440900    0.000631498
     11        6          -0.000189335   -0.000152279   -0.000535162
     12        6          -0.000218026    0.000561030   -0.000424200
     13        6           0.000011773   -0.000269659    0.000039957
     14        6           0.000485996   -0.000065258    0.000950436
     15        6           0.000132531    0.000213112   -0.000338934
     16        6           0.000211025   -0.000363560   -0.000215873
     17        6          -0.000325273    0.000144564    0.000060711
     18        6          -0.000455799   -0.000331602    0.000093865
     19        6           0.000318735    0.000127089   -0.000264516
     20        6          -0.000449250   -0.000158458    0.000062707
     21        6          -0.000694192   -0.000056232    0.001799850
     22        6           0.000298144    0.000581595   -0.000423779
     23        6           0.000195024   -0.000554047   -0.000144399
     24        6           0.000006686    0.000407404    0.000109621
     25        6          -0.000085706    0.000042996   -0.000233350
     26        6          -0.000568416   -0.000574593   -0.000560401
     27        6           0.000187148   -0.000022362   -0.000176540
     28        6           0.000343112   -0.000120020    0.000871345
     29        1           0.000195543   -0.000111745   -0.000279753
     30        1          -0.000058551    0.000072211   -0.000038334
     31        1          -0.000011235    0.000000058    0.000202854
     32        1           0.000026485   -0.000029945    0.000317719
     33        1          -0.000142793    0.000062516   -0.000190481
     34        1          -0.000000296   -0.000027491    0.000218448
     35        1          -0.000128992    0.000420248    0.000118197
     36        1          -0.000359593    0.000055553   -0.000310876
     37        1          -0.000060340   -0.000047842    0.000066270
     38        1          -0.000091989    0.000090423   -0.000017225
     39        1           0.000098536    0.000152017    0.000122716
     40        1          -0.000006682   -0.000131024    0.000033759
     41        1           0.000055507   -0.000157719   -0.000176925
     42        1           0.000037531    0.000063581    0.000101802
     43        1           0.000102754    0.000014823   -0.000109595
     44        1           0.000044095   -0.000024849   -0.000091730
     45        1          -0.000007855    0.000075304   -0.000034465
     46        1           0.000019256    0.000115472   -0.000087359
     47        1           0.000098962   -0.000076059    0.000021147
     48        1           0.000190217    0.000349333   -0.000250946
     49        1           0.000013745   -0.000065247   -0.000006365
     50        1           0.000403357   -0.000735498   -0.000789528
     51        1          -0.000125351    0.000121424    0.000046498
     52        1           0.001285798   -0.000032976   -0.000595118
     53        1           0.000108701    0.000005496    0.000030486
     54        1           0.000136441   -0.000044558   -0.000102463
     55        1           0.000516252   -0.000015176   -0.000143321
     56        1           0.000167124    0.000080044    0.000124037
     57        1           0.000026263   -0.000337232    0.000303031
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.001870611 RMS     0.000385974

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.001592557 RMS     0.000280580
 Search for a local minimum.
 Step number   9 out of a maximum of  342
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points    7    8    9
 DE= -3.30D-04 DEPred=-2.99D-04 R= 1.10D+00
 SS=  1.41D+00  RLast= 2.02D-01 DXNew= 3.7243D+00 6.0576D-01
 Trust test= 1.10D+00 RLast= 2.02D-01 DXMaxT set to 2.21D+00
     Eigenvalues ---    0.00182   0.00208   0.00241   0.00257   0.00412
     Eigenvalues ---    0.00424   0.00506   0.00529   0.00590   0.00639
     Eigenvalues ---    0.00698   0.00824   0.01096   0.01290   0.01318
     Eigenvalues ---    0.01387   0.01427   0.01471   0.01635   0.01648
     Eigenvalues ---    0.01713   0.01778   0.02089   0.02232   0.02313
     Eigenvalues ---    0.02407   0.03016   0.03328   0.03707   0.03798
     Eigenvalues ---    0.03953   0.04034   0.04237   0.04385   0.04509
     Eigenvalues ---    0.04654   0.04768   0.04883   0.04958   0.04974
     Eigenvalues ---    0.05064   0.05145   0.05224   0.05318   0.05339
     Eigenvalues ---    0.05381   0.05423   0.05461   0.05523   0.05604
     Eigenvalues ---    0.05804   0.05960   0.06165   0.06242   0.06541
     Eigenvalues ---    0.06820   0.06914   0.07009   0.07116   0.07288
     Eigenvalues ---    0.07499   0.07971   0.08081   0.08173   0.08260
     Eigenvalues ---    0.08282   0.08478   0.09143   0.09313   0.10638
     Eigenvalues ---    0.11261   0.11765   0.11907   0.12855   0.13502
     Eigenvalues ---    0.13738   0.14364   0.14922   0.14996   0.15750
     Eigenvalues ---    0.15920   0.15992   0.15995   0.15999   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16002   0.16003
     Eigenvalues ---    0.16040   0.16105   0.16198   0.16622   0.16948
     Eigenvalues ---    0.17496   0.18173   0.19237   0.19523   0.20576
     Eigenvalues ---    0.21358   0.22362   0.22580   0.22904   0.24063
     Eigenvalues ---    0.24731   0.24948   0.24999   0.25613   0.26444
     Eigenvalues ---    0.26594   0.26857   0.27500   0.27836   0.28178
     Eigenvalues ---    0.28411   0.28542   0.28939   0.29310   0.29474
     Eigenvalues ---    0.29980   0.30545   0.31943   0.32285   0.33196
     Eigenvalues ---    0.33270   0.33515   0.33798   0.33884   0.33921
     Eigenvalues ---    0.33980   0.34002   0.34055   0.34082   0.34109
     Eigenvalues ---    0.34142   0.34216   0.34239   0.34239   0.34255
     Eigenvalues ---    0.34277   0.34289   0.34352   0.34354   0.34445
     Eigenvalues ---    0.34498   0.34642   0.34890   0.34964   0.35102
     Eigenvalues ---    0.35383   0.35524   0.35668   0.38458   0.42414
     Eigenvalues ---    0.43962   0.47914   0.52142   0.52464   0.53480
     Eigenvalues ---    0.53713   0.57574   0.60848   0.88944   0.92271
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:     9    8    7    6
 RFO step:  Lambda=-7.30538401D-05.
 DIIS coeffs:      1.21275     -0.08940     -0.15989      0.03655
 Iteration  1 RMS(Cart)=  0.02935252 RMS(Int)=  0.00071752
 Iteration  2 RMS(Cart)=  0.00078746 RMS(Int)=  0.00001854
 Iteration  3 RMS(Cart)=  0.00000132 RMS(Int)=  0.00001852
 Iteration  4 RMS(Cart)=  0.00000000 RMS(Int)=  0.00001852
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.60669   0.00024  -0.00050  -0.00001  -0.00052   2.60618
    R2        2.70811  -0.00079   0.00326   0.00433   0.00759   2.71570
    R3        1.86277  -0.00048   0.00044  -0.00123  -0.00079   1.86198
    R4        2.71652   0.00016  -0.00044  -0.00183  -0.00227   2.71425
    R5        1.85170   0.00109   0.00051   0.00395   0.00446   1.85616
    R6        2.28584   0.00032  -0.00031   0.00060   0.00029   2.28613
    R7        2.69592  -0.00081   0.00046   0.00051   0.00097   2.69689
    R8        1.87651  -0.00007   0.00090   0.00253   0.00343   1.87994
    R9        2.29345  -0.00025  -0.00038  -0.00044  -0.00082   2.29263
   R10        2.94769  -0.00005   0.00021  -0.00127  -0.00108   2.94661
   R11        2.96729   0.00011   0.00159   0.00392   0.00551   2.97280
   R12        2.90592   0.00025   0.00017   0.00013   0.00031   2.90623
   R13        2.89074  -0.00011   0.00098  -0.00099   0.00000   2.89074
   R14        2.89707   0.00007   0.00103   0.00140   0.00242   2.89949
   R15        2.90705  -0.00036   0.00004  -0.00075  -0.00072   2.90633
   R16        2.12351  -0.00024   0.00054   0.00057   0.00111   2.12462
   R17        2.93782   0.00038  -0.00048  -0.00003  -0.00054   2.93729
   R18        2.90427  -0.00026   0.00004   0.00057   0.00062   2.90488
   R19        2.11826   0.00006   0.00086  -0.00002   0.00083   2.11910
   R20        2.95959   0.00159  -0.00081   0.00342   0.00263   2.96222
   R21        2.97176   0.00091   0.00063   0.00197   0.00259   2.97435
   R22        2.96924  -0.00133   0.00261  -0.00499  -0.00238   2.96686
   R23        2.90552  -0.00098   0.00081  -0.00316  -0.00235   2.90317
   R24        2.93860  -0.00027   0.00055   0.00174   0.00228   2.94088
   R25        2.08429  -0.00020  -0.00020  -0.00080  -0.00100   2.08329
   R26        2.08116   0.00018  -0.00071  -0.00193  -0.00264   2.07853
   R27        2.90912   0.00042  -0.00057   0.00235   0.00180   2.91092
   R28        2.09919  -0.00019  -0.00001  -0.00089  -0.00090   2.09829
   R29        2.10093  -0.00008   0.00049   0.00083   0.00132   2.10225
   R30        2.87766  -0.00102   0.00081  -0.00300  -0.00220   2.87546
   R31        2.11478  -0.00005   0.00085   0.00102   0.00188   2.11666
   R32        2.11140  -0.00030   0.00018   0.00083   0.00101   2.11241
   R33        2.89300  -0.00016   0.00001  -0.00161  -0.00161   2.89139
   R34        2.90910   0.00030  -0.00055  -0.00069  -0.00125   2.90785
   R35        2.86722   0.00064  -0.00098   0.00000  -0.00099   2.86623
   R36        2.89480   0.00033  -0.00057   0.00103   0.00046   2.89527
   R37        2.09336   0.00003   0.00024   0.00045   0.00069   2.09405
   R38        2.09662  -0.00004  -0.00034  -0.00105  -0.00139   2.09524
   R39        2.07072  -0.00022   0.00011  -0.00041  -0.00030   2.07043
   R40        2.07429  -0.00011   0.00015   0.00033   0.00048   2.07476
   R41        2.08165   0.00010   0.00036  -0.00043  -0.00007   2.08158
   R42        2.83980  -0.00018   0.00012  -0.00031  -0.00017   2.83963
   R43        2.09976  -0.00010   0.00028   0.00004   0.00031   2.10007
   R44        2.09911   0.00002   0.00018   0.00024   0.00041   2.09952
   R45        2.53381   0.00019  -0.00047  -0.00021  -0.00068   2.53313
   R46        2.87883  -0.00134   0.00237   0.00020   0.00257   2.88139
   R47        2.07297  -0.00007   0.00010  -0.00036  -0.00026   2.07272
   R48        2.06859  -0.00006   0.00003   0.00020   0.00023   2.06881
   R49        2.07836  -0.00005   0.00014  -0.00043  -0.00029   2.07807
   R50        2.07488  -0.00001   0.00019  -0.00015   0.00003   2.07491
   R51        2.07494   0.00029  -0.00005   0.00083   0.00078   2.07572
   R52        2.07504   0.00002   0.00005   0.00081   0.00086   2.07589
   R53        2.52025   0.00048  -0.00082   0.00040  -0.00042   2.51983
   R54        2.06121   0.00016   0.00016   0.00138   0.00154   2.06275
   R55        2.79240   0.00021   0.00052   0.00178   0.00231   2.79471
   R56        2.06251   0.00005   0.00003  -0.00037  -0.00034   2.06217
   R57        2.08733   0.00004   0.00022  -0.00162  -0.00140   2.08593
   R58        2.10115  -0.00037   0.00051   0.00115   0.00166   2.10280
   R59        2.81801   0.00018   0.00015   0.00024   0.00040   2.81841
   R60        2.06162   0.00019   0.00002   0.00021   0.00023   2.06185
    A1        1.95144  -0.00130   0.00343  -0.00417  -0.00075   1.95070
    A2        1.93502   0.00014   0.00107   0.00448   0.00555   1.94057
    A3        1.92280  -0.00071   0.00245   0.00003   0.00248   1.92529
    A4        1.73764   0.00020   0.00060   0.00068   0.00125   1.73889
    A5        1.89629  -0.00024  -0.00002   0.00090   0.00088   1.89717
    A6        1.99030  -0.00006  -0.00019  -0.00148  -0.00169   1.98861
    A7        2.01273  -0.00004   0.00019  -0.00002   0.00018   2.01291
    A8        1.90821  -0.00034  -0.00123  -0.00420  -0.00542   1.90279
    A9        1.91552   0.00044   0.00063   0.00371   0.00435   1.91987
   A10        1.93829   0.00037  -0.00105  -0.00066  -0.00172   1.93657
   A11        1.81516  -0.00043   0.00109   0.00225   0.00328   1.81844
   A12        1.88526   0.00012  -0.00069   0.00058  -0.00010   1.88516
   A13        2.07089   0.00025   0.00017   0.00200   0.00221   2.07311
   A14        1.89256  -0.00036   0.00132  -0.00039   0.00092   1.89349
   A15        1.85263   0.00005  -0.00097  -0.00389  -0.00485   1.84779
   A16        1.90080   0.00015  -0.00051  -0.00358  -0.00411   1.89670
   A17        1.93890  -0.00027   0.00044  -0.00194  -0.00148   1.93742
   A18        1.90803   0.00008   0.00037   0.00104   0.00141   1.90944
   A19        1.94499  -0.00001  -0.00028   0.00084   0.00054   1.94554
   A20        1.86858  -0.00002  -0.00077   0.00107   0.00029   1.86888
   A21        1.90095   0.00009   0.00071   0.00271   0.00343   1.90439
   A22        1.89036   0.00010   0.00057  -0.00110  -0.00052   1.88984
   A23        1.80343   0.00004  -0.00087   0.00037  -0.00049   1.80294
   A24        1.83113  -0.00038  -0.00041  -0.00511  -0.00552   1.82561
   A25        1.97945  -0.00034  -0.00009  -0.00218  -0.00230   1.97714
   A26        1.94575  -0.00015   0.00132   0.00472   0.00601   1.95176
   A27        1.99826   0.00071  -0.00066   0.00234   0.00171   1.99998
   A28        1.96748   0.00007   0.00001  -0.00099  -0.00098   1.96650
   A29        1.87672   0.00011   0.00114   0.00296   0.00410   1.88081
   A30        1.85353  -0.00038  -0.00040  -0.00703  -0.00746   1.84607
   A31        1.82348  -0.00015  -0.00135  -0.00269  -0.00410   1.81938
   A32        1.98388   0.00041  -0.00090   0.00389   0.00302   1.98690
   A33        1.95824  -0.00006   0.00169   0.00427   0.00600   1.96424
   A34        1.83222   0.00014   0.00106   0.00122   0.00213   1.83436
   A35        1.95060   0.00004   0.00016   0.00240   0.00258   1.95318
   A36        1.94692  -0.00016  -0.00076  -0.00423  -0.00493   1.94199
   A37        1.93030  -0.00001  -0.00002   0.00013   0.00014   1.93044
   A38        1.95097  -0.00010  -0.00094  -0.00300  -0.00389   1.94708
   A39        1.85494   0.00009   0.00046   0.00334   0.00378   1.85872
   A40        1.95757   0.00036  -0.00106   0.00036  -0.00072   1.95685
   A41        1.93156  -0.00026   0.00002  -0.00118  -0.00116   1.93039
   A42        1.91783   0.00004   0.00077   0.00144   0.00222   1.92005
   A43        1.91008   0.00003   0.00092   0.00168   0.00260   1.91268
   A44        1.87973  -0.00015  -0.00024   0.00054   0.00031   1.88005
   A45        1.86401  -0.00003  -0.00038  -0.00294  -0.00332   1.86068
   A46        1.84552   0.00026   0.00001   0.00167   0.00157   1.84709
   A47        1.95689  -0.00024   0.00138  -0.00006   0.00133   1.95822
   A48        1.88284  -0.00018  -0.00068  -0.00529  -0.00593   1.87691
   A49        1.97172  -0.00001   0.00078   0.00296   0.00379   1.97551
   A50        1.90141   0.00004  -0.00099  -0.00030  -0.00128   1.90013
   A51        1.90253   0.00013  -0.00060   0.00062   0.00000   1.90253
   A52        1.91364   0.00106  -0.00031   0.00798   0.00766   1.92130
   A53        1.82809  -0.00052  -0.00089  -0.00351  -0.00439   1.82370
   A54        1.89487  -0.00036   0.00034  -0.00277  -0.00243   1.89245
   A55        2.00630  -0.00033  -0.00031  -0.00156  -0.00188   2.00442
   A56        1.91055  -0.00009  -0.00020  -0.00112  -0.00131   1.90924
   A57        1.90644   0.00022   0.00139   0.00081   0.00220   1.90864
   A58        1.88344  -0.00007   0.00010  -0.00136  -0.00128   1.88216
   A59        1.96222   0.00056  -0.00010   0.00394   0.00384   1.96607
   A60        1.91589  -0.00016  -0.00048  -0.00052  -0.00099   1.91490
   A61        1.87565  -0.00045   0.00054  -0.00278  -0.00224   1.87341
   A62        1.96002   0.00010   0.00042   0.00019   0.00061   1.96063
   A63        1.86753   0.00003  -0.00045   0.00061   0.00016   1.86768
   A64        1.95524   0.00023   0.00004   0.00047   0.00048   1.95572
   A65        1.91180  -0.00010  -0.00011  -0.00084  -0.00093   1.91087
   A66        1.92835  -0.00013   0.00012  -0.00145  -0.00132   1.92703
   A67        1.91082   0.00003   0.00008   0.00110   0.00120   1.91202
   A68        1.91262  -0.00007  -0.00050  -0.00075  -0.00124   1.91138
   A69        1.84153   0.00002   0.00038   0.00154   0.00191   1.84345
   A70        1.96863  -0.00010   0.00112   0.00164   0.00276   1.97139
   A71        1.95431  -0.00002   0.00006  -0.00118  -0.00113   1.95318
   A72        1.94016   0.00018  -0.00080  -0.00122  -0.00201   1.93815
   A73        1.86907   0.00001  -0.00118  -0.00461  -0.00578   1.86329
   A74        1.88193  -0.00010   0.00006  -0.00001   0.00005   1.88198
   A75        1.84328   0.00003   0.00070   0.00555   0.00625   1.84953
   A76        1.94442  -0.00012  -0.00012  -0.00284  -0.00299   1.94143
   A77        1.92840   0.00015  -0.00046  -0.00045  -0.00091   1.92749
   A78        1.90666   0.00005  -0.00029   0.00091   0.00063   1.90729
   A79        1.91157   0.00001   0.00075   0.00091   0.00166   1.91323
   A80        1.93677  -0.00003  -0.00009   0.00005  -0.00002   1.93675
   A81        1.83301  -0.00005   0.00023   0.00169   0.00191   1.83492
   A82        2.02012   0.00009  -0.00001  -0.00228  -0.00234   2.01778
   A83        2.14120  -0.00006  -0.00033   0.00081   0.00049   2.14169
   A84        2.12175  -0.00003   0.00035   0.00141   0.00180   2.12355
   A85        2.14855   0.00010  -0.00023  -0.00016  -0.00042   2.14813
   A86        2.09555   0.00055  -0.00022  -0.00254  -0.00279   2.09276
   A87        2.03855  -0.00065   0.00036   0.00286   0.00319   2.04174
   A88        1.94325  -0.00005   0.00026  -0.00063  -0.00038   1.94287
   A89        1.94787  -0.00002   0.00022   0.00006   0.00028   1.94815
   A90        1.94373  -0.00015  -0.00004  -0.00164  -0.00167   1.94205
   A91        1.88190   0.00002  -0.00057  -0.00108  -0.00166   1.88024
   A92        1.85616   0.00009   0.00033   0.00318   0.00352   1.85968
   A93        1.88707   0.00011  -0.00022   0.00028   0.00006   1.88712
   A94        1.95238  -0.00007   0.00010   0.00010   0.00020   1.95258
   A95        1.95954   0.00036  -0.00058   0.00139   0.00081   1.96034
   A96        1.93613  -0.00013  -0.00031  -0.00199  -0.00230   1.93383
   A97        1.85550   0.00001   0.00065   0.00479   0.00543   1.86093
   A98        1.88125  -0.00001   0.00022  -0.00186  -0.00165   1.87960
   A99        1.87450  -0.00017  -0.00002  -0.00239  -0.00242   1.87209
   A100       2.16459  -0.00016  -0.00023  -0.00021  -0.00045   2.16414
   A101       2.00999   0.00006  -0.00092  -0.00098  -0.00189   2.00810
   A102       2.10832   0.00010   0.00116   0.00123   0.00239   2.11071
   A103       2.14810   0.00021   0.00014  -0.00037  -0.00023   2.14786
   A104       2.13849   0.00000   0.00038   0.00123   0.00162   2.14010
   A105       1.99649  -0.00020  -0.00053  -0.00086  -0.00138   1.99511
   A106       1.93819  -0.00038   0.00002  -0.00288  -0.00286   1.93533
   A107       1.81942   0.00025  -0.00060   0.00284   0.00224   1.82165
   A108       1.89749   0.00032  -0.00066   0.00045  -0.00021   1.89728
   A109       1.98325  -0.00020   0.00150   0.00271   0.00421   1.98747
   A110       1.92024   0.00006   0.00137   0.00410   0.00547   1.92572
   A111       1.90134  -0.00003  -0.00186  -0.00753  -0.00940   1.89194
   A112       2.13063   0.00000   0.00050   0.00041   0.00091   2.13155
   A113       2.14731   0.00011   0.00007  -0.00054  -0.00048   2.14683
   A114       2.00524  -0.00012  -0.00057   0.00013  -0.00044   2.00480
   A115       2.14310  -0.00001   0.00032  -0.00062  -0.00034   2.14276
   A116       2.12219   0.00009   0.00027   0.00131   0.00154   2.12373
   A117       2.01788  -0.00008  -0.00059  -0.00060  -0.00121   2.01667
    D1        0.42425  -0.00033  -0.01415  -0.09232  -0.10644   0.31781
    D2        2.42469  -0.00041  -0.01509  -0.09433  -0.10945   2.31524
    D3       -1.75906  -0.00062  -0.01274  -0.09156  -0.10430  -1.86337
    D4       -1.53085   0.00038   0.01303   0.08977   0.10279  -1.42806
    D5        2.59065   0.00050   0.01412   0.08932   0.10346   2.69411
    D6        0.55569   0.00068   0.01282   0.09144   0.10425   0.65995
    D7        0.53392   0.00025   0.00070   0.00669   0.00739   0.54131
    D8        2.67617  -0.00004   0.00215   0.01013   0.01228   2.68845
    D9       -1.58110   0.00020  -0.00060   0.00312   0.00252  -1.57857
   D10        3.04639   0.00013  -0.00151  -0.00162  -0.00313   3.04327
   D11        0.79976  -0.00011  -0.00182  -0.00524  -0.00707   0.79269
   D12       -1.16356  -0.00002  -0.00094  -0.00212  -0.00306  -1.16662
   D13       -1.12548   0.00009  -0.00101  -0.00094  -0.00195  -1.12743
   D14        2.91108  -0.00015  -0.00132  -0.00457  -0.00590   2.90518
   D15        0.94776  -0.00006  -0.00044  -0.00145  -0.00189   0.94587
   D16        1.01700   0.00044  -0.00034   0.00350   0.00316   1.02016
   D17       -1.22963   0.00020  -0.00065  -0.00012  -0.00078  -1.23041
   D18        3.09023   0.00029   0.00023   0.00300   0.00323   3.09346
   D19        1.33816   0.00005  -0.00091  -0.00429  -0.00519   1.33298
   D20       -0.69424  -0.00002  -0.00147  -0.00571  -0.00715  -0.70139
   D21       -2.83455  -0.00009  -0.00211  -0.01144  -0.01355  -2.84810
   D22       -0.68648   0.00022  -0.00133  -0.00575  -0.00706  -0.69354
   D23       -2.71889   0.00015  -0.00189  -0.00718  -0.00902  -2.72791
   D24        1.42399   0.00008  -0.00254  -0.01291  -0.01543   1.40856
   D25       -2.85431  -0.00006  -0.00132  -0.00728  -0.00860  -2.86291
   D26        1.39647  -0.00013  -0.00188  -0.00871  -0.01056   1.38590
   D27       -0.74384  -0.00020  -0.00252  -0.01444  -0.01697  -0.76081
   D28        0.96187   0.00005   0.00193  -0.00355  -0.00163   0.96024
   D29       -1.17669  -0.00005   0.00148  -0.00511  -0.00363  -1.18032
   D30        3.05213   0.00013   0.00146  -0.00167  -0.00020   3.05193
   D31        2.89406   0.00012   0.00276  -0.00216   0.00057   2.89463
   D32        0.75551   0.00002   0.00230  -0.00372  -0.00143   0.75407
   D33       -1.29887   0.00020   0.00229  -0.00027   0.00200  -1.29687
   D34       -1.22513   0.00000   0.00177  -0.00477  -0.00301  -1.22814
   D35        2.91950  -0.00010   0.00132  -0.00634  -0.00501   2.91449
   D36        0.86513   0.00007   0.00130  -0.00289  -0.00159   0.86355
   D37        1.04590   0.00003   0.00009   0.01625   0.01633   1.06224
   D38       -3.12746  -0.00004  -0.00059   0.01057   0.00997  -3.11749
   D39       -1.07032   0.00010  -0.00020   0.01599   0.01578  -1.05453
   D40       -0.88157   0.00004   0.00020   0.01877   0.01899  -0.86259
   D41        1.22825  -0.00004  -0.00048   0.01309   0.01262   1.24088
   D42       -2.99779   0.00010  -0.00009   0.01851   0.01843  -2.97936
   D43       -3.10534   0.00001   0.00039   0.01917   0.01956  -3.08578
   D44       -0.99551  -0.00006  -0.00028   0.01348   0.01319  -0.98232
   D45        1.06163   0.00008   0.00011   0.01890   0.01901   1.08063
   D46        1.07319   0.00022   0.00045   0.00757   0.00800   1.08120
   D47       -3.06135   0.00013   0.00004   0.00490   0.00492  -3.05642
   D48       -0.96297   0.00012   0.00145   0.00772   0.00918  -0.95379
   D49       -3.10889   0.00014   0.00117   0.01162   0.01273  -3.09616
   D50       -0.96024   0.00005   0.00076   0.00894   0.00965  -0.95059
   D51        1.13813   0.00003   0.00217   0.01177   0.01391   1.15204
   D52       -0.99565   0.00008   0.00109   0.00749   0.00857  -0.98708
   D53        1.15300  -0.00001   0.00068   0.00482   0.00549   1.15849
   D54       -3.03181  -0.00002   0.00209   0.00765   0.00974  -3.02207
   D55       -0.60085   0.00005   0.00494   0.01449   0.01944  -0.58141
   D56        1.49231   0.00014   0.00566   0.01668   0.02233   1.51464
   D57       -2.71694   0.00017   0.00583   0.01968   0.02552  -2.69142
   D58       -2.76386  -0.00025   0.00532   0.01217   0.01751  -2.74636
   D59       -0.67071  -0.00015   0.00603   0.01436   0.02039  -0.65031
   D60        1.40323  -0.00012   0.00621   0.01737   0.02359   1.42682
   D61        1.38591   0.00002   0.00424   0.01453   0.01878   1.40469
   D62       -2.80411   0.00011   0.00496   0.01673   0.02166  -2.78245
   D63       -0.73018   0.00014   0.00513   0.01973   0.02486  -0.70532
   D64        1.11267  -0.00002  -0.00221  -0.01155  -0.01376   1.09891
   D65       -0.87830   0.00006  -0.00146  -0.01011  -0.01156  -0.88986
   D66        3.11869  -0.00050  -0.00166  -0.01578  -0.01744   3.10125
   D67       -1.03233   0.00022  -0.00223  -0.00719  -0.00943  -1.04176
   D68       -3.02329   0.00030  -0.00148  -0.00575  -0.00724  -3.03053
   D69        0.97369  -0.00026  -0.00168  -0.01142  -0.01311   0.96058
   D70       -3.10932   0.00013  -0.00247  -0.01163  -0.01410  -3.12342
   D71        1.18290   0.00022  -0.00172  -0.01019  -0.01191   1.17099
   D72       -1.10330  -0.00034  -0.00192  -0.01586  -0.01778  -1.12109
   D73       -3.06048   0.00009   0.00042   0.01125   0.01169  -3.04879
   D74        1.09881  -0.00004   0.00036   0.01013   0.01050   1.10931
   D75       -0.92260   0.00007  -0.00011   0.00958   0.00948  -0.91313
   D76       -0.93744   0.00009  -0.00012   0.00590   0.00579  -0.93166
   D77       -3.06133  -0.00004  -0.00018   0.00477   0.00459  -3.05674
   D78        1.20043   0.00007  -0.00065   0.00423   0.00358   1.20401
   D79        1.12015   0.00011  -0.00078   0.00941   0.00863   1.12878
   D80       -1.00375  -0.00002  -0.00084   0.00828   0.00744  -0.99631
   D81       -3.02516   0.00009  -0.00131   0.00774   0.00642  -3.01874
   D82        2.95516   0.00009   0.00383   0.00866   0.01249   2.96765
   D83       -1.27463  -0.00003   0.00226   0.00885   0.01111  -1.26351
   D84        0.87827  -0.00006   0.00372   0.00791   0.01162   0.88989
   D85       -1.28552   0.00006   0.00394   0.00651   0.01046  -1.27506
   D86        0.76788  -0.00006   0.00237   0.00670   0.00908   0.77696
   D87        2.92077  -0.00008   0.00382   0.00576   0.00959   2.93036
   D88        0.97435   0.00019   0.00514   0.01344   0.01857   0.99292
   D89        3.02775   0.00007   0.00358   0.01364   0.01720   3.04494
   D90       -1.10254   0.00004   0.00503   0.01269   0.01770  -1.08484
   D91        1.09429  -0.00010   0.00324   0.00331   0.00655   1.10084
   D92       -3.12351  -0.00037   0.00391   0.00133   0.00522  -3.11828
   D93       -1.04692  -0.00008   0.00295   0.00427   0.00722  -1.03970
   D94       -0.94800   0.00007   0.00214   0.00520   0.00737  -0.94062
   D95        1.11739  -0.00020   0.00281   0.00322   0.00605   1.12343
   D96       -3.08921   0.00010   0.00186   0.00616   0.00804  -3.08117
   D97        3.05870   0.00005   0.00164   0.00179   0.00345   3.06215
   D98       -1.15910  -0.00022   0.00230  -0.00019   0.00212  -1.15698
   D99        0.91749   0.00008   0.00135   0.00275   0.00411   0.92160
   D100      -1.74900  -0.00013   0.00470   0.01551   0.02021  -1.72879
   D101       0.40687  -0.00012   0.00651   0.02027   0.02680   0.43367
   D102       2.50188  -0.00022   0.00616   0.01753   0.02372   2.52559
   D103       0.34541  -0.00008   0.00457   0.01440   0.01894   0.36434
   D104       2.50128  -0.00007   0.00638   0.01916   0.02552   2.52680
   D105      -1.68690  -0.00017   0.00603   0.01643   0.02244  -1.66446
   D106       2.50235   0.00029   0.00357   0.01987   0.02342   2.52577
   D107      -1.62496   0.00030   0.00538   0.02463   0.03000  -1.59496
   D108       0.47004   0.00020   0.00503   0.02189   0.02692   0.49696
   D109      -2.63590  -0.00008  -0.00307  -0.02859  -0.03164  -2.66754
   D110       0.47057   0.00013  -0.00898  -0.02325  -0.03223   0.43834
   D111       1.47408  -0.00016  -0.00219  -0.02473  -0.02691   1.44717
   D112      -1.70263   0.00005  -0.00809  -0.01938  -0.02750  -1.73013
   D113      -0.59017  -0.00021  -0.00104  -0.02701  -0.02804  -0.61821
   D114       2.51630   0.00000  -0.00695  -0.02167  -0.02864   2.48767
   D115       0.15286   0.00009  -0.00603  -0.01815  -0.02422   0.12863
   D116      -1.99363   0.00021  -0.00823  -0.02103  -0.02930  -2.02293
   D117       2.17254   0.00002  -0.00729  -0.02357  -0.03090   2.14164
   D118      -1.95376  -0.00004  -0.00685  -0.02181  -0.02866  -1.98242
   D119       2.18294   0.00008  -0.00905  -0.02470  -0.03374   2.14920
   D120       0.06592  -0.00010  -0.00811  -0.02723  -0.03534   0.03059
   D121       2.26629  -0.00008  -0.00681  -0.02416  -0.03099   2.23529
   D122       0.11980   0.00005  -0.00901  -0.02705  -0.03607   0.08373
   D123      -1.99722  -0.00014  -0.00807  -0.02958  -0.03767  -2.03489
   D124       1.29155   0.00059  -0.00337   0.00762   0.00426   1.29581
   D125      -0.80959  -0.00018  -0.00218   0.00102  -0.00115  -0.81074
   D126      -2.96467   0.00000  -0.00279   0.00298   0.00021  -2.96446
   D127      -2.84096   0.00053  -0.00342   0.00756   0.00414  -2.83682
   D128       1.34110  -0.00024  -0.00223   0.00095  -0.00127   1.33982
   D129      -0.81398  -0.00006  -0.00283   0.00292   0.00008  -0.81390
   D130      -0.82082   0.00042  -0.00351   0.00525   0.00174  -0.81908
   D131      -2.92195  -0.00035  -0.00232  -0.00135  -0.00367  -2.92562
   D132       1.20616  -0.00017  -0.00293   0.00061  -0.00232   1.20384
   D133       1.06479  -0.00013  -0.00080   0.00070  -0.00007   1.06472
   D134      -3.11451  -0.00014  -0.00120  -0.00108  -0.00225  -3.11676
   D135      -1.00369  -0.00012  -0.00136  -0.00182  -0.00315  -1.00684
   D136      -3.13509   0.00003   0.00074   0.00491   0.00561  -3.12947
   D137      -1.03121   0.00001   0.00034   0.00313   0.00343  -1.02777
   D138       1.07962   0.00004   0.00017   0.00239   0.00253   1.08215
   D139      -1.01870   0.00016  -0.00042   0.00692   0.00650  -1.01221
   D140       1.08518   0.00015  -0.00082   0.00515   0.00432   1.08950
   D141      -3.08718   0.00017  -0.00099   0.00441   0.00342  -3.08377
   D142       0.95879   0.00027  -0.00144   0.00598   0.00453   0.96332
   D143      -2.19874   0.00018  -0.00058   0.00179   0.00121  -2.19754
   D144      -1.16125  -0.00010  -0.00168   0.00364   0.00195  -1.15929
   D145       1.96441  -0.00019  -0.00082  -0.00055  -0.00137   1.96303
   D146       3.07273   0.00008  -0.00171   0.00453   0.00282   3.07555
   D147      -0.08480   0.00000  -0.00084   0.00033  -0.00051  -0.08531
   D148      -0.91239   0.00000  -0.00385   0.00994   0.00610  -0.90629
   D149       1.17209   0.00022  -0.00335   0.01712   0.01378   1.18587
   D150      -3.01361   0.00015  -0.00399   0.01362   0.00964  -3.00396
   D151       1.15758  -0.00005  -0.00345   0.00878   0.00532   1.16290
   D152      -3.04113   0.00017  -0.00295   0.01596   0.01300  -3.02813
   D153      -0.94364   0.00010  -0.00358   0.01246   0.00886  -0.93478
   D154      -3.01706  -0.00016  -0.00291   0.00782   0.00491  -3.01215
   D155      -0.93259   0.00005  -0.00240   0.01500   0.01259  -0.92000
   D156       1.16490  -0.00001  -0.00304   0.01150   0.00846   1.17336
   D157       2.17561  -0.00019   0.00081  -0.00336  -0.00256   2.17305
   D158      -0.99166  -0.00019   0.00117  -0.00133  -0.00017  -0.99184
   D159       0.08040  -0.00005   0.00073  -0.00140  -0.00067   0.07973
   D160      -3.08687  -0.00006   0.00110   0.00062   0.00172  -3.08515
   D161      -1.97364   0.00042   0.00012   0.00150   0.00162  -1.97201
   D162       1.14228   0.00042   0.00049   0.00352   0.00401   1.14629
   D163       0.90497   0.00003   0.00168   0.00670   0.00836   0.91333
   D164      -1.22410   0.00000   0.00113   0.00781   0.00892  -1.21517
   D165       3.05094  -0.00005   0.00128   0.00550   0.00677   3.05770
   D166       3.02942   0.00009   0.00163   0.00671   0.00833   3.03775
   D167       0.90036   0.00006   0.00108   0.00782   0.00890   0.90925
   D168      -1.10779   0.00001   0.00123   0.00551   0.00674  -1.10106
   D169      -1.24183   0.00009   0.00185   0.00876   0.01060  -1.23123
   D170       2.91229   0.00006   0.00130   0.00986   0.01116   2.92346
   D171       0.90414   0.00001   0.00145   0.00755   0.00901   0.91315
   D172      -0.94973  -0.00020  -0.00089  -0.01308  -0.01396  -0.96369
   D173       2.20760  -0.00012  -0.00173  -0.00893  -0.01066   2.19694
   D174       1.18904  -0.00009  -0.00104  -0.01494  -0.01598   1.17306
   D175      -1.93681  -0.00001  -0.00188  -0.01079  -0.01268  -1.94949
   D176      -3.07837  -0.00016  -0.00037  -0.01231  -0.01268  -3.09105
   D177       0.07897  -0.00007  -0.00122  -0.00816  -0.00938   0.06959
   D178       0.02888   0.00009  -0.00004   0.00292   0.00288   0.03176
   D179      -3.12940   0.00007  -0.00051   0.00345   0.00294  -3.12646
   D180      -3.12956   0.00001   0.00087  -0.00154  -0.00068  -3.13025
   D181      -0.00465  -0.00002   0.00040  -0.00102  -0.00063  -0.00528
   D182      -0.35256   0.00017  -0.00002   0.03744   0.03744  -0.31512
   D183      -2.39707   0.00024  -0.00026   0.03403   0.03379  -2.36328
   D184       1.74903   0.00037   0.00008   0.03884   0.03893   1.78797
   D185       2.82303  -0.00002   0.00576   0.03222   0.03796   2.86099
   D186       0.77852   0.00004   0.00552   0.02881   0.03431   0.81283
   D187      -1.35857   0.00018   0.00586   0.03362   0.03946  -1.31911
   D188      -0.01922   0.00001   0.00026  -0.00081  -0.00055  -0.01978
   D189       3.12445   0.00000   0.00070   0.00155   0.00225   3.12670
   D190      -3.13376   0.00002  -0.00009  -0.00291  -0.00301  -3.13677
   D191       0.00991   0.00000   0.00035  -0.00055  -0.00021   0.00970
   D192      -3.10884   0.00011  -0.00056   0.01078   0.01021  -3.09863
   D193       0.03855  -0.00013   0.00100  -0.00498  -0.00398   0.03457
   D194       0.04819   0.00013  -0.00014   0.01028   0.01013   0.05833
   D195      -3.08760  -0.00011   0.00143  -0.00549  -0.00406  -3.09166
   D196       3.10356  -0.00015   0.00042  -0.01164  -0.01122   3.09233
   D197      -0.04376   0.00009  -0.00113   0.00392   0.00279  -0.04097
   D198      -0.03996  -0.00013   0.00002  -0.01382  -0.01381  -0.05377
   D199       3.09591   0.00010  -0.00153   0.00173   0.00020   3.09611
         Item               Value     Threshold  Converged?
 Maximum Force            0.001593     0.000450     NO 
 RMS     Force            0.000281     0.000300     YES
 Maximum Displacement     0.148434     0.001800     NO 
 RMS     Displacement     0.029283     0.001200     NO 
 Predicted change in Energy=-2.485422D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C22H29FO5
 Framework group  C1[X(C22H29FO5)]
 Deg. of freedom   165
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          9           0        1.516906    0.010379   -1.382476
      2          8           0       -3.000021    0.379583   -1.815183
      3          8           0        0.354992   -2.139397    1.238770
      4          8           0       -4.808014   -0.258374    1.092143
      5          8           0       -5.620066   -2.394611   -0.303629
      6          8           0        6.473686   -0.173646   -1.448106
      7          6           0       -1.645367   -0.136172    0.229745
      8          6           0       -0.749097    1.116768   -0.011474
      9          6           0        0.634449    0.932733    0.625821
     10          6           0        1.334735   -0.280985   -0.046842
     11          6           0       -2.998610    0.387283   -0.378119
     12          6           0       -1.622503    2.298227    0.443119
     13          6           0       -1.018804   -1.337932   -0.497137
     14          6           0       -3.080791    1.882695    0.092924
     15          6           0        0.444808   -1.571059   -0.077261
     16          6           0        2.789101   -0.501616    0.513056
     17          6           0        1.476394    2.212091    0.494099
     18          6           0       -1.858977   -0.471442    1.706898
     19          6           0        2.907094    2.014420    1.005351
     20          6           0        3.552322    0.816496    0.367646
     21          6           0       -4.227452   -0.431896    0.045066
     22          6           0       -3.724733    2.780434   -0.953380
     23          6           0        2.799020   -0.874999    2.005804
     24          6           0        3.457563   -1.640139   -0.233561
     25          6           0        4.730899    0.905147   -0.264786
     26          6           0       -4.739617   -1.472442   -0.944817
     27          6           0        4.627154   -1.532684   -0.864882
     28          6           0        5.386682   -0.250103   -0.914771
     29          1           0       -0.616862    1.241215   -1.121013
     30          1           0        0.513868    0.682770    1.712315
     31          1           0       -1.523037    2.491374    1.523931
     32          1           0       -1.333334    3.228113   -0.068245
     33          1           0       -1.073009   -1.200586   -1.597645
     34          1           0       -1.589574   -2.263845   -0.263738
     35          1           0       -3.699074    1.909016    1.026535
     36          1           0        0.909561   -2.326593   -0.757510
     37          1           0        0.991295    3.033502    1.057929
     38          1           0        1.503701    2.550041   -0.561542
     39          1           0       -2.355567    0.333320    2.260201
     40          1           0       -2.473542   -1.371753    1.837929
     41          1           0       -0.900689   -0.683191    2.207097
     42          1           0        2.911483    1.896607    2.110391
     43          1           0        3.497141    2.935202    0.809484
     44          1           0       -4.754066    2.468095   -1.167774
     45          1           0       -3.754558    3.824603   -0.625748
     46          1           0       -3.178975    2.736602   -1.907055
     47          1           0        2.217391   -0.165342    2.608871
     48          1           0        2.370038   -1.869280    2.189964
     49          1           0        3.824830   -0.884684    2.398688
     50          1           0       -2.294137   -0.204232   -2.178137
     51          1           0        2.920232   -2.589872   -0.205484
     52          1           0        1.143825   -2.687799    1.443202
     53          1           0        5.280593    1.843448   -0.355674
     54          1           0       -3.946124   -2.106488   -1.377005
     55          1           0       -5.286421   -0.977371   -1.777964
     56          1           0        5.100080   -2.366535   -1.385937
     57          1           0       -6.107470   -1.947135    0.439254
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.4212876      0.1027105      0.0947450
 Standard basis: VSTO-6G (5D, 7F)
 There are   141 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   141 basis functions,   846 primitive gaussians,   141 cartesian basis functions
    77 alpha electrons       77 beta electrons
       nuclear repulsion energy      1659.3427664123 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   141 RedAO= F  NBF=   141
 NBsUse=   141 1.00D-04 NBFU=   141
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=982442.
 SCF Done:  E(RPM6) = -0.413883814279     A.U. after   13 cycles
             Convg  =    0.7514D-08             -V/T =  0.9987
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        9           0.000244320   -0.000397026    0.000626606
      2        8          -0.001402385    0.000812221   -0.001879293
      3        8          -0.001811294    0.000894810    0.000281524
      4        8           0.000315793   -0.000208429   -0.000601170
      5        8           0.000461646   -0.000412460   -0.000186271
      6        8          -0.000088754   -0.000029296    0.000317811
      7        6          -0.001804989   -0.000108732    0.000081989
      8        6          -0.000035838    0.000033806    0.000116683
      9        6           0.000088067   -0.000418532    0.000553545
     10        6           0.000661596    0.000461859    0.000498041
     11        6           0.001973003    0.000614555    0.001711901
     12        6          -0.001196020    0.001126527   -0.000364210
     13        6           0.000201086   -0.000349705   -0.000579368
     14        6           0.000181513    0.000539507   -0.000472471
     15        6           0.000380810    0.000116986   -0.000282135
     16        6          -0.000884017   -0.000561421   -0.000027240
     17        6          -0.000496153    0.000376783   -0.000484089
     18        6          -0.000130768    0.000050639    0.000163374
     19        6           0.000106441   -0.000117501   -0.000182950
     20        6          -0.000157317   -0.000536633   -0.000308380
     21        6          -0.001156545    0.000828274    0.002517440
     22        6           0.000518615    0.000228632   -0.000339761
     23        6           0.000010784   -0.000380717   -0.000340926
     24        6          -0.000327395    0.000803399    0.000137095
     25        6           0.000222880    0.000376236    0.000651461
     26        6          -0.001266583   -0.001437172   -0.000760169
     27        6           0.000218934   -0.000005757    0.000618133
     28        6           0.000179926   -0.000196496   -0.001027721
     29        1           0.000477223   -0.000004969   -0.000610668
     30        1          -0.000010481   -0.000180543    0.000362900
     31        1          -0.000014045    0.000031600    0.000126000
     32        1           0.000274219   -0.000977636    0.000352525
     33        1           0.000074231    0.000125493   -0.000014757
     34        1           0.000119849   -0.000383168    0.000075581
     35        1           0.000050256    0.000057108    0.000304487
     36        1          -0.000550672   -0.000037740   -0.000353154
     37        1           0.000132575    0.000059757    0.000187275
     38        1          -0.000146820   -0.000152816    0.000310797
     39        1           0.000227002   -0.000131032    0.000196262
     40        1           0.000338260    0.000055616   -0.000010145
     41        1          -0.000117243    0.000261303   -0.000136601
     42        1           0.000176337   -0.000048298    0.000256706
     43        1          -0.000016948    0.000114307   -0.000226895
     44        1           0.000030377    0.000018961    0.000107115
     45        1           0.000046543    0.000032514   -0.000010145
     46        1          -0.000159537    0.000117715    0.000123131
     47        1          -0.000021291    0.000085894   -0.000028143
     48        1          -0.000057203    0.000320537   -0.000236953
     49        1           0.000012217    0.000025467   -0.000159212
     50        1           0.000279381   -0.000597573   -0.000793860
     51        1           0.000233380   -0.000010360    0.000128829
     52        1           0.001082625   -0.000457228    0.000014143
     53        1           0.000037326   -0.000113594   -0.000002640
     54        1           0.000702675    0.000007321   -0.000557771
     55        1           0.000649654   -0.000318855   -0.000833230
     56        1           0.000210674    0.000107766    0.000038657
     57        1           0.000932078   -0.000111906    0.000950316
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.002517440 RMS     0.000574550

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.002958276 RMS     0.000373164
 Search for a local minimum.
 Step number  10 out of a maximum of  342
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points    8    9   10
 DE= -3.04D-04 DEPred=-2.49D-04 R= 1.22D+00
 SS=  1.41D+00  RLast= 3.35D-01 DXNew= 3.7243D+00 1.0043D+00
 Trust test= 1.22D+00 RLast= 3.35D-01 DXMaxT set to 2.21D+00
     Eigenvalues ---    0.00131   0.00204   0.00240   0.00267   0.00351
     Eigenvalues ---    0.00424   0.00455   0.00520   0.00590   0.00637
     Eigenvalues ---    0.00701   0.00799   0.01117   0.01301   0.01337
     Eigenvalues ---    0.01388   0.01435   0.01477   0.01606   0.01642
     Eigenvalues ---    0.01729   0.01812   0.02090   0.02232   0.02314
     Eigenvalues ---    0.02412   0.03041   0.03364   0.03712   0.03789
     Eigenvalues ---    0.03946   0.04081   0.04240   0.04386   0.04514
     Eigenvalues ---    0.04636   0.04786   0.04890   0.04966   0.04974
     Eigenvalues ---    0.05077   0.05144   0.05225   0.05321   0.05364
     Eigenvalues ---    0.05391   0.05432   0.05489   0.05529   0.05606
     Eigenvalues ---    0.05813   0.05960   0.06160   0.06266   0.06572
     Eigenvalues ---    0.06823   0.06956   0.07001   0.07128   0.07299
     Eigenvalues ---    0.07594   0.07952   0.08083   0.08205   0.08274
     Eigenvalues ---    0.08290   0.08563   0.09214   0.09416   0.10659
     Eigenvalues ---    0.11244   0.11829   0.12307   0.12857   0.13506
     Eigenvalues ---    0.13738   0.14530   0.14866   0.15006   0.15790
     Eigenvalues ---    0.15962   0.15992   0.15996   0.15999   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16001   0.16002   0.16031
     Eigenvalues ---    0.16048   0.16105   0.16439   0.16657   0.16995
     Eigenvalues ---    0.17482   0.18169   0.19192   0.19488   0.20739
     Eigenvalues ---    0.21442   0.22360   0.22613   0.22915   0.24127
     Eigenvalues ---    0.24923   0.24970   0.25078   0.25718   0.26428
     Eigenvalues ---    0.26592   0.26867   0.27507   0.27880   0.28194
     Eigenvalues ---    0.28446   0.28733   0.29107   0.29330   0.29546
     Eigenvalues ---    0.30435   0.30899   0.31816   0.32198   0.33176
     Eigenvalues ---    0.33270   0.33511   0.33830   0.33893   0.33926
     Eigenvalues ---    0.33984   0.34000   0.34056   0.34086   0.34108
     Eigenvalues ---    0.34143   0.34216   0.34237   0.34250   0.34271
     Eigenvalues ---    0.34288   0.34294   0.34351   0.34379   0.34445
     Eigenvalues ---    0.34525   0.34638   0.34909   0.35075   0.35254
     Eigenvalues ---    0.35398   0.35562   0.35667   0.38678   0.42431
     Eigenvalues ---    0.43990   0.47911   0.52140   0.52634   0.53481
     Eigenvalues ---    0.53950   0.57893   0.69260   0.88955   0.92273
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    10    9    8    7    6
 RFO step:  Lambda=-8.88629958D-05.
 DIIS coeffs:      1.36481     -0.03078     -0.34027      0.04844     -0.04220
 Iteration  1 RMS(Cart)=  0.03014521 RMS(Int)=  0.00166928
 Iteration  2 RMS(Cart)=  0.00176647 RMS(Int)=  0.00002820
 Iteration  3 RMS(Cart)=  0.00000946 RMS(Int)=  0.00002749
 Iteration  4 RMS(Cart)=  0.00000000 RMS(Int)=  0.00002749
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.60618   0.00071  -0.00020   0.00054   0.00034   2.60652
    R2        2.71570  -0.00268   0.00397   0.00289   0.00686   2.72255
    R3        1.86198  -0.00041  -0.00072   0.00057  -0.00015   1.86183
    R4        2.71425  -0.00007  -0.00160  -0.00144  -0.00304   2.71121
    R5        1.85616   0.00063   0.00206   0.00419   0.00625   1.86241
    R6        2.28613   0.00039   0.00018   0.00115   0.00134   2.28746
    R7        2.69689  -0.00155   0.00079  -0.00135  -0.00056   2.69633
    R8        1.87994  -0.00110   0.00180   0.00161   0.00341   1.88335
    R9        2.29263   0.00006  -0.00030  -0.00074  -0.00104   2.29159
   R10        2.94661   0.00000  -0.00147   0.00163   0.00013   2.94674
   R11        2.97280  -0.00130   0.00219   0.00225   0.00443   2.97723
   R12        2.90623  -0.00036  -0.00085   0.00055  -0.00026   2.90597
   R13        2.89074  -0.00022  -0.00056   0.00130   0.00074   2.89147
   R14        2.89949  -0.00061   0.00060   0.00138   0.00195   2.90144
   R15        2.90633   0.00001  -0.00058   0.00026  -0.00032   2.90602
   R16        2.12462  -0.00054   0.00060  -0.00044   0.00016   2.12477
   R17        2.93729   0.00030  -0.00095   0.00077  -0.00024   2.93705
   R18        2.90488  -0.00034   0.00006  -0.00118  -0.00112   2.90376
   R19        2.11910  -0.00038   0.00005   0.00029   0.00034   2.11944
   R20        2.96222   0.00063  -0.00048   0.00163   0.00117   2.96339
   R21        2.97435  -0.00021  -0.00014  -0.00025  -0.00040   2.97395
   R22        2.96686  -0.00102  -0.00168   0.00180   0.00012   2.96699
   R23        2.90317  -0.00154  -0.00148  -0.00376  -0.00524   2.89793
   R24        2.94088  -0.00091   0.00130  -0.00089   0.00042   2.94130
   R25        2.08329  -0.00013  -0.00056  -0.00089  -0.00145   2.08185
   R26        2.07853   0.00105  -0.00181   0.00141  -0.00041   2.07812
   R27        2.91092  -0.00042   0.00121  -0.00131  -0.00008   2.91084
   R28        2.09829  -0.00003  -0.00070  -0.00010  -0.00080   2.09749
   R29        2.10225  -0.00040   0.00060   0.00047   0.00108   2.10332
   R30        2.87546  -0.00049  -0.00122  -0.00018  -0.00140   2.87406
   R31        2.11666  -0.00028   0.00084   0.00112   0.00196   2.11862
   R32        2.11241  -0.00047   0.00065  -0.00079  -0.00014   2.11228
   R33        2.89139   0.00038  -0.00020   0.00154   0.00132   2.89271
   R34        2.90785   0.00076  -0.00108   0.00072  -0.00036   2.90749
   R35        2.86623   0.00107  -0.00104   0.00137   0.00031   2.86654
   R36        2.89527   0.00021  -0.00001   0.00000   0.00000   2.89527
   R37        2.09405  -0.00019   0.00028   0.00009   0.00037   2.09442
   R38        2.09524   0.00033  -0.00089   0.00016  -0.00072   2.09451
   R39        2.07043  -0.00010  -0.00012  -0.00019  -0.00031   2.07011
   R40        2.07476  -0.00014   0.00025   0.00025   0.00050   2.07526
   R41        2.08158   0.00000  -0.00030   0.00042   0.00012   2.08170
   R42        2.83963  -0.00004   0.00033   0.00011   0.00047   2.84010
   R43        2.10007  -0.00026   0.00011  -0.00024  -0.00013   2.09994
   R44        2.09952  -0.00015   0.00012   0.00004   0.00016   2.09967
   R45        2.53313   0.00034  -0.00036  -0.00031  -0.00067   2.53246
   R46        2.88139  -0.00296   0.00228  -0.00524  -0.00296   2.87843
   R47        2.07272   0.00000  -0.00018   0.00007  -0.00011   2.07261
   R48        2.06881  -0.00003   0.00015   0.00011   0.00026   2.06907
   R49        2.07807   0.00003  -0.00026   0.00039   0.00013   2.07820
   R50        2.07491  -0.00003  -0.00003   0.00013   0.00010   2.07501
   R51        2.07572   0.00036   0.00019   0.00144   0.00163   2.07735
   R52        2.07589   0.00007   0.00054   0.00058   0.00113   2.07702
   R53        2.51983   0.00061  -0.00029  -0.00025  -0.00053   2.51930
   R54        2.06275  -0.00013   0.00084   0.00036   0.00120   2.06396
   R55        2.79471  -0.00025   0.00136   0.00054   0.00191   2.79662
   R56        2.06217   0.00012  -0.00031   0.00028  -0.00002   2.06215
   R57        2.08593   0.00033  -0.00097   0.00025  -0.00072   2.08521
   R58        2.10280  -0.00084   0.00091  -0.00027   0.00063   2.10344
   R59        2.81841   0.00011   0.00003   0.00054   0.00059   2.81900
   R60        2.06185   0.00020  -0.00003   0.00070   0.00066   2.06252
    A1        1.95070  -0.00135  -0.00063  -0.00049  -0.00111   1.94958
    A2        1.94057  -0.00095   0.00275  -0.00186   0.00089   1.94146
    A3        1.92529  -0.00142   0.00192  -0.00315  -0.00123   1.92406
    A4        1.73889  -0.00003   0.00109   0.00095   0.00199   1.74087
    A5        1.89717  -0.00002   0.00049  -0.00073  -0.00025   1.89692
    A6        1.98861   0.00002  -0.00097  -0.00064  -0.00159   1.98702
    A7        2.01291  -0.00009  -0.00009   0.00006   0.00001   2.01292
    A8        1.90279   0.00018  -0.00234  -0.00097  -0.00332   1.89948
    A9        1.91987  -0.00007   0.00168   0.00123   0.00290   1.92277
   A10        1.93657   0.00020  -0.00229  -0.00030  -0.00263   1.93394
   A11        1.81844  -0.00032   0.00219   0.00046   0.00257   1.82102
   A12        1.88516   0.00016   0.00005   0.00253   0.00261   1.88777
   A13        2.07311   0.00020   0.00092   0.00292   0.00394   2.07705
   A14        1.89349  -0.00040   0.00139  -0.00380  -0.00242   1.89107
   A15        1.84779   0.00018  -0.00234  -0.00156  -0.00390   1.84389
   A16        1.89670   0.00004  -0.00245  -0.00015  -0.00265   1.89405
   A17        1.93742  -0.00009   0.00027   0.00088   0.00121   1.93863
   A18        1.90944  -0.00006   0.00017  -0.00070  -0.00053   1.90891
   A19        1.94554   0.00016   0.00022   0.00098   0.00119   1.94673
   A20        1.86888  -0.00005   0.00040  -0.00150  -0.00111   1.86777
   A21        1.90439   0.00000   0.00139   0.00038   0.00177   1.90616
   A22        1.88984  -0.00004   0.00100   0.00171   0.00273   1.89257
   A23        1.80294   0.00023   0.00080   0.00283   0.00363   1.80657
   A24        1.82561   0.00000  -0.00140  -0.00178  -0.00320   1.82241
   A25        1.97714  -0.00019  -0.00172  -0.00237  -0.00413   1.97301
   A26        1.95176  -0.00012   0.00316   0.00136   0.00447   1.95623
   A27        1.99998   0.00016  -0.00184  -0.00133  -0.00310   1.99688
   A28        1.96650   0.00004  -0.00171   0.00237   0.00068   1.96718
   A29        1.88081   0.00030   0.00275   0.00662   0.00939   1.89021
   A30        1.84607  -0.00044  -0.00368  -0.01080  -0.01452   1.83155
   A31        1.81938   0.00013  -0.00202  -0.00106  -0.00319   1.81619
   A32        1.98690   0.00035   0.00117   0.00352   0.00471   1.99162
   A33        1.96424  -0.00037   0.00386   0.00007   0.00401   1.96825
   A34        1.83436  -0.00019   0.00116   0.00086   0.00182   1.83618
   A35        1.95318   0.00016   0.00125   0.00163   0.00290   1.95608
   A36        1.94199   0.00000  -0.00266  -0.00183  -0.00442   1.93757
   A37        1.93044   0.00004  -0.00029   0.00080   0.00056   1.93099
   A38        1.94708   0.00009  -0.00183  -0.00234  -0.00413   1.94295
   A39        1.85872  -0.00009   0.00228   0.00084   0.00309   1.86181
   A40        1.95685   0.00025  -0.00079   0.00068  -0.00015   1.95670
   A41        1.93039   0.00004  -0.00070   0.00115   0.00045   1.93084
   A42        1.92005  -0.00016   0.00112   0.00017   0.00131   1.92136
   A43        1.91268  -0.00018   0.00141   0.00156   0.00297   1.91565
   A44        1.88005   0.00000   0.00048  -0.00092  -0.00042   1.87963
   A45        1.86068   0.00003  -0.00151  -0.00286  -0.00438   1.85631
   A46        1.84709   0.00023   0.00087   0.00110   0.00183   1.84892
   A47        1.95822  -0.00012   0.00111   0.00076   0.00188   1.96010
   A48        1.87691  -0.00008  -0.00285  -0.00260  -0.00541   1.87150
   A49        1.97551  -0.00024   0.00204   0.00091   0.00299   1.97850
   A50        1.90013   0.00009  -0.00129  -0.00064  -0.00191   1.89822
   A51        1.90253   0.00014  -0.00016   0.00026   0.00007   1.90260
   A52        1.92130   0.00056   0.00162   0.00720   0.00884   1.93014
   A53        1.82370  -0.00034  -0.00075  -0.00544  -0.00618   1.81752
   A54        1.89245  -0.00020  -0.00070  -0.00392  -0.00463   1.88781
   A55        2.00442  -0.00019  -0.00072  -0.00061  -0.00136   2.00306
   A56        1.90924   0.00006  -0.00079  -0.00002  -0.00079   1.90845
   A57        1.90864   0.00009   0.00135   0.00238   0.00375   1.91239
   A58        1.88216   0.00001   0.00056   0.00021   0.00074   1.88289
   A59        1.96607  -0.00002  -0.00031   0.00080   0.00049   1.96656
   A60        1.91490  -0.00003  -0.00110  -0.00241  -0.00349   1.91141
   A61        1.87341  -0.00006   0.00109   0.00016   0.00124   1.87465
   A62        1.96063  -0.00005   0.00042   0.00043   0.00085   1.96148
   A63        1.86768   0.00016  -0.00061   0.00090   0.00029   1.86797
   A64        1.95572  -0.00001  -0.00072  -0.00090  -0.00168   1.95404
   A65        1.91087   0.00006  -0.00062   0.00034  -0.00026   1.91061
   A66        1.92703  -0.00006  -0.00023  -0.00016  -0.00038   1.92666
   A67        1.91202  -0.00004   0.00045   0.00036   0.00083   1.91285
   A68        1.91138   0.00011  -0.00030   0.00051   0.00021   1.91159
   A69        1.84345  -0.00007   0.00156  -0.00008   0.00147   1.84492
   A70        1.97139  -0.00032   0.00186   0.00097   0.00284   1.97423
   A71        1.95318   0.00004  -0.00091  -0.00012  -0.00103   1.95215
   A72        1.93815   0.00029  -0.00160   0.00005  -0.00155   1.93660
   A73        1.86329   0.00026  -0.00323  -0.00171  -0.00493   1.85836
   A74        1.88198   0.00001   0.00019   0.00047   0.00065   1.88264
   A75        1.84953  -0.00028   0.00380   0.00026   0.00406   1.85359
   A76        1.94143  -0.00004  -0.00156  -0.00117  -0.00277   1.93867
   A77        1.92749   0.00008  -0.00085  -0.00002  -0.00086   1.92663
   A78        1.90729   0.00012   0.00013   0.00117   0.00132   1.90861
   A79        1.91323  -0.00006   0.00110   0.00046   0.00156   1.91479
   A80        1.93675   0.00002   0.00003   0.00043   0.00048   1.93722
   A81        1.83492  -0.00011   0.00129  -0.00083   0.00046   1.83538
   A82        2.01778   0.00000  -0.00050   0.00055  -0.00001   2.01777
   A83        2.14169  -0.00008   0.00007  -0.00104  -0.00098   2.14071
   A84        2.12355   0.00008   0.00046   0.00049   0.00102   2.12456
   A85        2.14813   0.00024  -0.00058   0.00143   0.00082   2.14895
   A86        2.09276   0.00135  -0.00169   0.00188   0.00017   2.09293
   A87        2.04174  -0.00158   0.00249  -0.00312  -0.00065   2.04110
   A88        1.94287   0.00005  -0.00036   0.00076   0.00040   1.94327
   A89        1.94815  -0.00005   0.00001   0.00066   0.00067   1.94882
   A90        1.94205   0.00011  -0.00097   0.00023  -0.00075   1.94131
   A91        1.88024   0.00002  -0.00086  -0.00126  -0.00212   1.87812
   A92        1.85968  -0.00016   0.00234  -0.00051   0.00184   1.86152
   A93        1.88712   0.00002  -0.00005   0.00001  -0.00005   1.88708
   A94        1.95258   0.00001   0.00022   0.00031   0.00053   1.95311
   A95        1.96034   0.00019  -0.00062   0.00039  -0.00023   1.96011
   A96        1.93383   0.00016  -0.00073  -0.00041  -0.00114   1.93269
   A97        1.86093  -0.00012   0.00293   0.00227   0.00519   1.86612
   A98        1.87960  -0.00009  -0.00067  -0.00077  -0.00144   1.87816
   A99        1.87209  -0.00018  -0.00107  -0.00184  -0.00291   1.86917
   A100       2.16414  -0.00021  -0.00015  -0.00100  -0.00119   2.16295
   A101       2.00810   0.00035  -0.00094  -0.00028  -0.00121   2.00689
   A102       2.11071  -0.00014   0.00111   0.00135   0.00247   2.11318
   A103       2.14786   0.00017  -0.00037   0.00075   0.00037   2.14823
   A104       2.14010  -0.00011   0.00080   0.00064   0.00145   2.14155
   A105       1.99511  -0.00005  -0.00044  -0.00134  -0.00177   1.99334
   A106       1.93533   0.00001  -0.00125  -0.00149  -0.00276   1.93258
   A107       1.82165   0.00015   0.00170   0.00130   0.00300   1.82465
   A108       1.89728   0.00060  -0.00127   0.00491   0.00363   1.90091
   A109       1.98747  -0.00069   0.00248  -0.00076   0.00172   1.98918
   A110       1.92572  -0.00050   0.00355  -0.00101   0.00253   1.92825
   A111       1.89194   0.00054  -0.00557  -0.00255  -0.00811   1.88382
   A112       2.13155  -0.00006   0.00032   0.00067   0.00099   2.13254
   A113       2.14683   0.00014  -0.00058   0.00082   0.00024   2.14707
   A114       2.00480  -0.00008   0.00026  -0.00148  -0.00122   2.00358
   A115       2.14276  -0.00008  -0.00042   0.00026  -0.00025   2.14250
   A116       2.12373  -0.00015   0.00078   0.00060   0.00128   2.12501
   A117       2.01667   0.00024  -0.00037  -0.00067  -0.00110   2.01556
    D1        0.31781  -0.00042  -0.05309  -0.11532  -0.16833   0.14948
    D2        2.31524  -0.00006  -0.05478  -0.11131  -0.16613   2.14911
    D3       -1.86337  -0.00058  -0.05081  -0.11362  -0.16448  -2.02785
    D4       -1.42806   0.00035   0.05261   0.11163   0.16421  -1.26385
    D5        2.69411   0.00048   0.05302   0.11169   0.16475   2.85887
    D6        0.65995   0.00064   0.05217   0.11347   0.16562   0.82557
    D7        0.54131   0.00016   0.00839  -0.01826  -0.00986   0.53145
    D8        2.68845  -0.00058   0.01174  -0.01920  -0.00746   2.68099
    D9       -1.57857   0.00038   0.00564  -0.01928  -0.01365  -1.59222
   D10        3.04327   0.00027  -0.00340   0.00129  -0.00212   3.04115
   D11        0.79269   0.00011  -0.00462  -0.00248  -0.00715   0.78554
   D12       -1.16662  -0.00001  -0.00300  -0.00196  -0.00499  -1.17161
   D13       -1.12743   0.00015  -0.00276   0.00153  -0.00122  -1.12865
   D14        2.90518  -0.00001  -0.00398  -0.00223  -0.00625   2.89893
   D15        0.94587  -0.00013  -0.00237  -0.00172  -0.00409   0.94178
   D16        1.02016   0.00006  -0.00090   0.00213   0.00125   1.02141
   D17       -1.23041  -0.00009  -0.00213  -0.00163  -0.00378  -1.23419
   D18        3.09346  -0.00022  -0.00051  -0.00111  -0.00162   3.09184
   D19        1.33298   0.00024  -0.00234   0.01010   0.00778   1.34076
   D20       -0.70139  -0.00021  -0.00356   0.00167  -0.00184  -0.70324
   D21       -2.84810  -0.00005  -0.00765   0.00024  -0.00740  -2.85551
   D22       -0.69354   0.00032  -0.00353   0.01036   0.00685  -0.68669
   D23       -2.72791  -0.00013  -0.00476   0.00193  -0.00277  -2.73068
   D24        1.40856   0.00003  -0.00884   0.00050  -0.00833   1.40024
   D25       -2.86291   0.00033  -0.00380   0.00947   0.00566  -2.85725
   D26        1.38590  -0.00012  -0.00503   0.00104  -0.00396   1.38194
   D27       -0.76081   0.00004  -0.00912  -0.00039  -0.00952  -0.77033
   D28        0.96024  -0.00001  -0.00068   0.00018  -0.00050   0.95974
   D29       -1.18032   0.00001  -0.00143  -0.00314  -0.00455  -1.18486
   D30        3.05193   0.00005   0.00016  -0.00042  -0.00024   3.05168
   D31        2.89463  -0.00010   0.00092   0.00092   0.00180   2.89643
   D32        0.75407  -0.00008   0.00017  -0.00240  -0.00225   0.75182
   D33       -1.29687  -0.00004   0.00176   0.00032   0.00205  -1.29482
   D34       -1.22814   0.00002  -0.00093   0.00066  -0.00028  -1.22842
   D35        2.91449   0.00004  -0.00167  -0.00266  -0.00432   2.91016
   D36        0.86355   0.00008  -0.00008   0.00006  -0.00002   0.86352
   D37        1.06224  -0.00002   0.00944  -0.00883   0.00060   1.06284
   D38       -3.11749   0.00011   0.00592  -0.01044  -0.00453  -3.12202
   D39       -1.05453  -0.00003   0.00905  -0.01016  -0.00112  -1.05566
   D40       -0.86259  -0.00011   0.01006  -0.00906   0.00102  -0.86157
   D41        1.24088   0.00002   0.00653  -0.01067  -0.00412   1.23676
   D42       -2.97936  -0.00012   0.00967  -0.01039  -0.00070  -2.98006
   D43       -3.08578  -0.00008   0.01066  -0.00931   0.00134  -3.08444
   D44       -0.98232   0.00005   0.00714  -0.01092  -0.00380  -0.98612
   D45        1.08063  -0.00009   0.01027  -0.01064  -0.00039   1.08025
   D46        1.08120  -0.00006   0.00657   0.00162   0.00817   1.08937
   D47       -3.05642   0.00011   0.00537   0.00331   0.00866  -3.04777
   D48       -0.95379   0.00001   0.00738   0.00389   0.01128  -0.94251
   D49       -3.09616  -0.00017   0.00831   0.00424   0.01248  -3.08367
   D50       -0.95059   0.00000   0.00711   0.00593   0.01296  -0.93762
   D51        1.15204  -0.00010   0.00912   0.00651   0.01559   1.16763
   D52       -0.98708  -0.00012   0.00699   0.00105   0.00802  -0.97906
   D53        1.15849   0.00005   0.00579   0.00274   0.00850   1.16699
   D54       -3.02207  -0.00005   0.00780   0.00332   0.01113  -3.01094
   D55       -0.58141  -0.00002   0.01166   0.00277   0.01443  -0.56697
   D56        1.51464   0.00000   0.01269   0.00515   0.01783   1.53247
   D57       -2.69142  -0.00001   0.01462   0.00606   0.02070  -2.67072
   D58       -2.74636  -0.00015   0.01226   0.00082   0.01309  -2.73327
   D59       -0.65031  -0.00014   0.01329   0.00320   0.01649  -0.63383
   D60        1.42682  -0.00014   0.01522   0.00411   0.01935   1.44617
   D61        1.40469   0.00010   0.01171   0.00516   0.01685   1.42155
   D62       -2.78245   0.00011   0.01275   0.00754   0.02025  -2.76220
   D63       -0.70532   0.00011   0.01467   0.00846   0.02312  -0.68220
   D64        1.09891   0.00018  -0.00727  -0.00078  -0.00804   1.09087
   D65       -0.88986   0.00002  -0.00791  -0.00397  -0.01186  -0.90173
   D66        3.10125   0.00009  -0.00666  -0.00117  -0.00783   3.09342
   D67       -1.04176   0.00016  -0.00608  -0.00242  -0.00852  -1.05028
   D68       -3.03053   0.00001  -0.00672  -0.00562  -0.01234  -3.04288
   D69        0.96058   0.00007  -0.00547  -0.00281  -0.00831   0.95227
   D70       -3.12342   0.00011  -0.00815  -0.00251  -0.01067  -3.13409
   D71        1.17099  -0.00005  -0.00879  -0.00571  -0.01449   1.15650
   D72       -1.12109   0.00001  -0.00754  -0.00290  -0.01046  -1.13154
   D73       -3.04879  -0.00011   0.00263  -0.00241   0.00027  -3.04852
   D74        1.10931  -0.00010   0.00298  -0.00249   0.00052   1.10983
   D75       -0.91313  -0.00002   0.00159  -0.00250  -0.00089  -0.91401
   D76       -0.93166  -0.00001  -0.00015  -0.00131  -0.00145  -0.93311
   D77       -3.05674   0.00000   0.00020  -0.00140  -0.00120  -3.05794
   D78        1.20401   0.00008  -0.00120  -0.00141  -0.00262   1.20139
   D79        1.12878   0.00002   0.00135  -0.00234  -0.00098   1.12780
   D80       -0.99631   0.00003   0.00170  -0.00242  -0.00073  -0.99704
   D81       -3.01874   0.00012   0.00030  -0.00243  -0.00214  -3.02089
   D82        2.96765   0.00016   0.00429   0.00451   0.00881   2.97646
   D83       -1.26351   0.00001   0.00402   0.00228   0.00629  -1.25722
   D84        0.88989   0.00002   0.00466   0.00497   0.00962   0.89951
   D85       -1.27506   0.00016   0.00513   0.00711   0.01224  -1.26282
   D86        0.77696   0.00001   0.00486   0.00488   0.00972   0.78668
   D87        2.93036   0.00003   0.00550   0.00756   0.01305   2.94341
   D88        0.99292  -0.00005   0.00632   0.00554   0.01186   1.00478
   D89        3.04494  -0.00020   0.00605   0.00331   0.00933   3.05428
   D90       -1.08484  -0.00018   0.00669   0.00599   0.01267  -1.07218
   D91        1.10084  -0.00007   0.00796   0.00684   0.01480   1.11565
   D92       -3.11828  -0.00015   0.00948   0.00764   0.01710  -3.10118
   D93       -1.03970   0.00001   0.00776   0.00766   0.01543  -1.02428
   D94       -0.94062   0.00004   0.00603   0.00518   0.01122  -0.92941
   D95        1.12343  -0.00004   0.00755   0.00597   0.01352   1.13695
   D96       -3.08117   0.00012   0.00583   0.00599   0.01184  -3.06933
   D97        3.06215   0.00028   0.00719   0.00852   0.01577   3.07791
   D98       -1.15698   0.00020   0.00871   0.00932   0.01807  -1.13891
   D99        0.92160   0.00036   0.00699   0.00934   0.01639   0.93799
   D100      -1.72879  -0.00011   0.01219  -0.00518   0.00701  -1.72177
   D101       0.43367  -0.00033   0.01598  -0.00283   0.01317   0.44684
   D102       2.52559  -0.00028   0.01458  -0.00376   0.01086   2.53645
   D103       0.36434   0.00014   0.01050   0.00017   0.01064   0.37499
   D104       2.52680  -0.00007   0.01429   0.00252   0.01680   2.54359
   D105      -1.66446  -0.00003   0.01290   0.00160   0.01448  -1.64998
   D106       2.52577   0.00045   0.01284   0.00384   0.01665   2.54242
   D107      -1.59496   0.00023   0.01663   0.00619   0.02280  -1.57216
   D108       0.49696   0.00027   0.01524   0.00526   0.02049   0.51745
   D109      -2.66754  -0.00009  -0.01700  -0.04901  -0.06600  -2.73355
   D110       0.43834   0.00009  -0.00984  -0.04254  -0.05235   0.38599
   D111       1.44717  -0.00005  -0.01289  -0.04643  -0.05936   1.38782
   D112      -1.73013   0.00014  -0.00573  -0.03997  -0.04571  -1.77584
   D113      -0.61821  -0.00020  -0.01386  -0.04761  -0.06148  -0.67970
   D114       2.48767  -0.00001  -0.00671  -0.04114  -0.04784   2.43983
   D115       0.12863   0.00009  -0.01399  -0.00186  -0.01587   0.11276
   D116      -2.02293   0.00023  -0.01723  -0.00414  -0.02139  -2.04433
   D117       2.14164   0.00016  -0.01746  -0.00461  -0.02211   2.11953
   D118      -1.98242   0.00000  -0.01601  -0.00475  -0.02075  -2.00317
   D119       2.14920   0.00014  -0.01924  -0.00703  -0.02627   2.12293
   D120       0.03059   0.00006  -0.01948  -0.00751  -0.02698   0.00360
   D121       2.23529   0.00003  -0.01750  -0.00482  -0.02234   2.21296
   D122       0.08373   0.00017  -0.02073  -0.00710  -0.02786   0.05587
   D123      -2.03489   0.00009  -0.02097  -0.00758  -0.02857  -2.06346
   D124       1.29581   0.00020   0.00119   0.00120   0.00240   1.29821
   D125      -0.81074  -0.00016   0.00010  -0.00364  -0.00352  -0.81426
   D126      -2.96446  -0.00016   0.00061  -0.00505  -0.00443  -2.96889
   D127      -2.83682   0.00031   0.00076   0.00426   0.00501  -2.83181
   D128       1.33982  -0.00005  -0.00033  -0.00058  -0.00091   1.33891
   D129      -0.81390  -0.00006   0.00017  -0.00199  -0.00182  -0.81572
   D130      -0.81908   0.00025  -0.00003   0.00118   0.00115  -0.81793
   D131      -2.92562  -0.00011  -0.00112  -0.00366  -0.00477  -2.93039
   D132       1.20384  -0.00012  -0.00061  -0.00506  -0.00568   1.19816
   D133       1.06472  -0.00005  -0.00106   0.00926   0.00824   1.07296
   D134      -3.11676  -0.00002  -0.00240   0.00863   0.00627  -3.11049
   D135      -1.00684   0.00005  -0.00314   0.00925   0.00616  -1.00068
   D136      -3.12947  -0.00002   0.00230   0.01189   0.01416  -3.11532
   D137      -1.02777   0.00002   0.00096   0.01126   0.01219  -1.01559
   D138       1.08215   0.00009   0.00023   0.01188   0.01207   1.09422
   D139      -1.01221   0.00003   0.00190   0.01187   0.01376  -0.99844
   D140       1.08950   0.00007   0.00056   0.01123   0.01179   1.10129
   D141      -3.08377   0.00013  -0.00017   0.01186   0.01168  -3.07209
   D142       0.96332   0.00008  -0.00147  -0.00192  -0.00339   0.95993
   D143      -2.19754   0.00007  -0.00007  -0.00186  -0.00194  -2.19947
   D144      -1.15929   0.00013  -0.00203  -0.00307  -0.00511  -1.16440
   D145       1.96303   0.00012  -0.00063  -0.00302  -0.00365   1.95938
   D146       3.07555   0.00001  -0.00221  -0.00451  -0.00672   3.06883
   D147      -0.08531  -0.00001  -0.00080  -0.00446  -0.00527  -0.09057
   D148      -0.90629   0.00006  -0.00403   0.00395  -0.00006  -0.90634
   D149       1.18587   0.00005  -0.00054   0.00737   0.00685   1.19271
   D150      -3.00396   0.00006  -0.00283   0.00501   0.00219  -3.00177
   D151       1.16290   0.00002  -0.00282   0.00477   0.00194   1.16484
   D152      -3.02813   0.00001   0.00067   0.00819   0.00884  -3.01929
   D153      -0.93478   0.00002  -0.00162   0.00582   0.00419  -0.93059
   D154      -3.01215   0.00001  -0.00207   0.00585   0.00378  -3.00837
   D155      -0.92000   0.00000   0.00142   0.00927   0.01068  -0.90931
   D156       1.17336   0.00001  -0.00087   0.00690   0.00603   1.17938
   D157       2.17305  -0.00003   0.00075   0.00377   0.00451   2.17756
   D158      -0.99184  -0.00003   0.00160   0.00695   0.00854  -0.98330
   D159       0.07973   0.00002   0.00052   0.00487   0.00540   0.08513
   D160      -3.08515   0.00002   0.00137   0.00805   0.00943  -3.07572
   D161      -1.97201   0.00003  -0.00066   0.00388   0.00322  -1.96879
   D162       1.14629   0.00003   0.00019   0.00706   0.00726   1.15354
   D163       0.91333  -0.00005   0.00571   0.00382   0.00951   0.92284
   D164      -1.21517   0.00001   0.00597   0.00405   0.01000  -1.20517
   D165       3.05770   0.00003   0.00481   0.00438   0.00917   3.06688
   D166       3.03775   0.00000   0.00475   0.00389   0.00863   3.04638
   D167       0.90925   0.00005   0.00501   0.00412   0.00912   0.91838
   D168      -1.10106   0.00008   0.00385   0.00445   0.00829  -1.09276
   D169      -1.23123  -0.00005   0.00671   0.00428   0.01099  -1.22024
   D170       2.92346   0.00000   0.00696   0.00451   0.01148   2.93494
   D171       0.91315   0.00003   0.00580   0.00484   0.01065   0.92380
   D172      -0.96369   0.00006  -0.00504  -0.00258  -0.00760  -0.97130
   D173       2.19694   0.00008  -0.00642  -0.00261  -0.00902   2.18793
   D174       1.17306   0.00010  -0.00639  -0.00307  -0.00947   1.16359
   D175      -1.94949   0.00011  -0.00777  -0.00310  -0.01088  -1.96037
   D176      -3.09105  -0.00007  -0.00415  -0.00356  -0.00770  -3.09875
   D177       0.06959  -0.00006  -0.00553  -0.00359  -0.00912   0.06047
   D178       0.03176  -0.00009   0.00015  -0.00576  -0.00561   0.02615
   D179      -3.12646  -0.00002  -0.00011  -0.00143  -0.00154  -3.12800
   D180      -3.13025  -0.00011   0.00163  -0.00570  -0.00408  -3.13433
   D181      -0.00528  -0.00003   0.00136  -0.00137  -0.00001  -0.00529
   D182      -0.31512  -0.00012   0.03089  -0.00506   0.02582  -0.28930
   D183      -2.36328   0.00013   0.02798  -0.00518   0.02278  -2.34050
   D184       1.78797   0.00030   0.03080  -0.00055   0.03024   1.81821
   D185       2.86099  -0.00028   0.02391  -0.01131   0.01262   2.87361
   D186       0.81283  -0.00003   0.02100  -0.01143   0.00958   0.82241
   D187      -1.31911   0.00015   0.02382  -0.00679   0.01704  -1.30207
   D188      -0.01978   0.00006   0.00040   0.00488   0.00527  -0.01450
   D189       3.12670  -0.00001   0.00125   0.00192   0.00317   3.12987
   D190      -3.13677   0.00005  -0.00048   0.00154   0.00106  -3.13571
   D191       0.00970  -0.00003   0.00038  -0.00142  -0.00104   0.00866
   D192      -3.09863  -0.00011   0.00255  -0.01049  -0.00794  -3.10657
   D193       0.03457   0.00018   0.00073   0.01503   0.01576   0.05033
   D194       0.05833  -0.00018   0.00278  -0.01451  -0.01172   0.04660
   D195      -3.09166   0.00011   0.00097   0.01102   0.01198  -3.07968
   D196       3.09233   0.00013  -0.00281   0.01067   0.00787   3.10020
   D197      -0.04097  -0.00016  -0.00102  -0.01455  -0.01557  -0.05653
   D198      -0.05377   0.00021  -0.00360   0.01341   0.00981  -0.04396
   D199       3.09611  -0.00009  -0.00181  -0.01181  -0.01362   3.08249
         Item               Value     Threshold  Converged?
 Maximum Force            0.002958     0.000450     NO 
 RMS     Force            0.000373     0.000300     NO 
 Maximum Displacement     0.252436     0.001800     NO 
 RMS     Displacement     0.030079     0.001200     NO 
 Predicted change in Energy=-2.509607D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C22H29FO5
 Framework group  C1[X(C22H29FO5)]
 Deg. of freedom   165
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          9           0        1.514759   -0.001578   -1.379969
      2          8           0       -3.006062    0.352742   -1.812063
      3          8           0        0.348186   -2.135377    1.261537
      4          8           0       -4.776252   -0.301571    1.117245
      5          8           0       -5.663280   -2.353152   -0.341843
      6          8           0        6.471030   -0.158450   -1.466251
      7          6           0       -1.641705   -0.137229    0.239513
      8          6           0       -0.743751    1.112578   -0.011924
      9          6           0        0.638761    0.928933    0.630199
     10          6           0        1.337865   -0.285634   -0.041867
     11          6           0       -2.997979    0.381552   -0.371660
     12          6           0       -1.616026    2.301933    0.423269
     13          6           0       -1.016440   -1.345397   -0.477508
     14          6           0       -3.076982    1.879527    0.091938
     15          6           0        0.447035   -1.576118   -0.055982
     16          6           0        2.795761   -0.507641    0.507613
     17          6           0        1.481841    2.207167    0.501792
     18          6           0       -1.857306   -0.456247    1.720375
     19          6           0        2.910128    2.005709    1.018297
     20          6           0        3.556244    0.813690    0.369923
     21          6           0       -4.226673   -0.434967    0.047005
     22          6           0       -3.741741    2.770675   -0.945873
     23          6           0        2.815757   -0.897372    1.995878
     24          6           0        3.458634   -1.638009   -0.256503
     25          6           0        4.731833    0.908450   -0.266416
     26          6           0       -4.771419   -1.431864   -0.967682
     27          6           0        4.625396   -1.523311   -0.891184
     28          6           0        5.390383   -0.243024   -0.922575
     29          1           0       -0.606056    1.227606   -1.121899
     30          1           0        0.514145    0.676456    1.715842
     31          1           0       -1.509655    2.522235    1.497429
     32          1           0       -1.332319    3.217275   -0.116165
     33          1           0       -1.074330   -1.219518   -1.578773
     34          1           0       -1.587494   -2.270059   -0.237226
     35          1           0       -3.682074    1.903664    1.035444
     36          1           0        0.913298   -2.340630   -0.724956
     37          1           0        0.995369    3.028657    1.064705
     38          1           0        1.513658    2.544373   -0.553557
     39          1           0       -2.354127    0.352899    2.266704
     40          1           0       -2.476862   -1.352240    1.859460
     41          1           0       -0.898987   -0.664246    2.222225
     42          1           0        2.908063    1.876746    2.122029
     43          1           0        3.501665    2.928151    0.834647
     44          1           0       -4.776608    2.460217   -1.134511
     45          1           0       -3.763127    3.817458   -0.625544
     46          1           0       -3.216253    2.718833   -1.910546
     47          1           0        2.235515   -0.196618    2.610673
     48          1           0        2.397113   -1.898685    2.170638
     49          1           0        3.844695   -0.905417    2.382234
     50          1           0       -2.215286   -0.112111   -2.171615
     51          1           0        2.916331   -2.585928   -0.240534
     52          1           0        1.195031   -2.559746    1.533689
     53          1           0        5.280614    1.847552   -0.354350
     54          1           0       -3.997750   -2.067041   -1.431983
     55          1           0       -5.313702   -0.901469   -1.782287
     56          1           0        5.094243   -2.349962   -1.427899
     57          1           0       -6.124622   -1.918203    0.427082
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.4223028      0.1023849      0.0946748
 Standard basis: VSTO-6G (5D, 7F)
 There are   141 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   141 basis functions,   846 primitive gaussians,   141 cartesian basis functions
    77 alpha electrons       77 beta electrons
       nuclear repulsion energy      1659.1415761326 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   141 RedAO= F  NBF=   141
 NBsUse=   141 1.00D-04 NBFU=   141
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=982442.
 SCF Done:  E(RPM6) = -0.414031914784     A.U. after   14 cycles
             Convg  =    0.9910D-08             -V/T =  0.9987
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        9          -0.000230441   -0.000523695    0.000248115
      2        8          -0.000781921    0.000982629   -0.003165492
      3        8          -0.002632414    0.000843548    0.000384845
      4        8           0.000205932   -0.000797684    0.000034211
      5        8          -0.000201824   -0.000623300   -0.000587655
      6        8           0.000764478    0.000147902   -0.000340331
      7        6          -0.003207466   -0.000412387    0.000106509
      8        6           0.000102307    0.000219810    0.000308730
      9        6          -0.000219956   -0.000374111    0.000790898
     10        6           0.000651912    0.000846305    0.000673966
     11        6           0.003741902   -0.000134365    0.003615860
     12        6          -0.001529725    0.001310998    0.000134479
     13        6          -0.000014829   -0.000269239   -0.000456140
     14        6          -0.000278887    0.001407921   -0.001621525
     15        6           0.000018285   -0.000397139    0.000067097
     16        6          -0.000734429   -0.001205571   -0.000029520
     17        6          -0.000577882    0.000316690   -0.000678180
     18        6           0.000119239    0.000108355    0.000385900
     19        6           0.000079401    0.000080561   -0.000033055
     20        6          -0.000392700   -0.000220216   -0.000579004
     21        6          -0.000939410    0.001640152    0.000990754
     22        6           0.000747563    0.000117806   -0.000178806
     23        6           0.001127389   -0.001741876   -0.000368264
     24        6          -0.000346840    0.000718303    0.000080614
     25        6           0.001151254    0.000801713   -0.000081947
     26        6          -0.001749592   -0.001666593   -0.000197914
     27        6           0.001135088    0.000292401   -0.000078530
     28        6          -0.001970698   -0.000785971    0.000979843
     29        1           0.000497056    0.000199035   -0.000740260
     30        1           0.000002052   -0.000388681    0.000432090
     31        1           0.000042759    0.000057639   -0.000072411
     32        1           0.000454475   -0.001452642    0.000154927
     33        1           0.000237646    0.000124074   -0.000002468
     34        1           0.000066687   -0.000557056   -0.000033687
     35        1           0.000235278   -0.000226153    0.000584357
     36        1          -0.000586396    0.000156454   -0.000135626
     37        1           0.000232427    0.000064185    0.000281123
     38        1          -0.000144399   -0.000312211    0.000455774
     39        1           0.000290435   -0.000334861    0.000388084
     40        1           0.000569766    0.000204846   -0.000024532
     41        1          -0.000331611    0.000475528   -0.000135550
     42        1           0.000303838   -0.000049178    0.000288600
     43        1          -0.000084962    0.000202192   -0.000213525
     44        1           0.000049679    0.000117403    0.000205759
     45        1           0.000122469    0.000026258   -0.000026029
     46        1          -0.000325538    0.000109819    0.000117107
     47        1          -0.000036611    0.000059926   -0.000070868
     48        1           0.000657369    0.000488231   -0.000999318
     49        1          -0.000034725    0.000061468   -0.000199648
     50        1           0.000006389   -0.000840954   -0.000804653
     51        1           0.000409517   -0.000061670    0.000307069
     52        1           0.000488835    0.000933632    0.000193016
     53        1          -0.000088714   -0.000212473   -0.000000382
     54        1           0.001224336    0.000202274   -0.000660194
     55        1           0.000429270   -0.000222618   -0.001141657
     56        1           0.000087579    0.000075458    0.000009384
     57        1           0.001189359    0.000417130    0.001438061
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.003741902 RMS     0.000831839

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.003959632 RMS     0.000642754
 Search for a local minimum.
 Step number  11 out of a maximum of  342
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   10   11
 DE= -1.48D-04 DEPred=-2.51D-04 R= 5.90D-01
 SS=  1.41D+00  RLast= 4.56D-01 DXNew= 3.7243D+00 1.3690D+00
 Trust test= 5.90D-01 RLast= 4.56D-01 DXMaxT set to 2.21D+00
     Eigenvalues ---    0.00143   0.00206   0.00243   0.00268   0.00321
     Eigenvalues ---    0.00425   0.00449   0.00524   0.00606   0.00637
     Eigenvalues ---    0.00703   0.00788   0.01131   0.01304   0.01338
     Eigenvalues ---    0.01399   0.01462   0.01561   0.01637   0.01655
     Eigenvalues ---    0.01746   0.01857   0.02100   0.02234   0.02313
     Eigenvalues ---    0.02462   0.03062   0.03363   0.03727   0.03797
     Eigenvalues ---    0.03961   0.04088   0.04241   0.04389   0.04535
     Eigenvalues ---    0.04639   0.04773   0.04888   0.04972   0.04978
     Eigenvalues ---    0.05069   0.05158   0.05219   0.05329   0.05384
     Eigenvalues ---    0.05397   0.05433   0.05522   0.05529   0.05615
     Eigenvalues ---    0.05824   0.05978   0.06151   0.06282   0.06606
     Eigenvalues ---    0.06853   0.06957   0.07024   0.07139   0.07305
     Eigenvalues ---    0.07611   0.07987   0.08098   0.08231   0.08261
     Eigenvalues ---    0.08283   0.08886   0.09192   0.09374   0.10658
     Eigenvalues ---    0.11261   0.11863   0.12190   0.12882   0.13511
     Eigenvalues ---    0.13737   0.14542   0.14834   0.15037   0.15780
     Eigenvalues ---    0.15971   0.15993   0.15997   0.15999   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16002   0.16012   0.16030
     Eigenvalues ---    0.16060   0.16099   0.16515   0.16735   0.17334
     Eigenvalues ---    0.17573   0.18475   0.19168   0.19570   0.20820
     Eigenvalues ---    0.21433   0.22425   0.22887   0.23116   0.24044
     Eigenvalues ---    0.24928   0.25023   0.25086   0.26065   0.26420
     Eigenvalues ---    0.26581   0.27043   0.27832   0.27926   0.28198
     Eigenvalues ---    0.28444   0.28738   0.29208   0.29461   0.29565
     Eigenvalues ---    0.30453   0.31095   0.32159   0.32626   0.33246
     Eigenvalues ---    0.33493   0.33825   0.33877   0.33924   0.33983
     Eigenvalues ---    0.33997   0.34053   0.34085   0.34108   0.34133
     Eigenvalues ---    0.34216   0.34235   0.34244   0.34266   0.34276
     Eigenvalues ---    0.34289   0.34347   0.34379   0.34422   0.34464
     Eigenvalues ---    0.34555   0.34857   0.34957   0.35076   0.35298
     Eigenvalues ---    0.35413   0.35553   0.36660   0.40637   0.42433
     Eigenvalues ---    0.44115   0.48073   0.52041   0.52638   0.53478
     Eigenvalues ---    0.53954   0.57874   0.64227   0.88968   0.92341
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    11   10    9    8    7
 RFO step:  Lambda=-2.35939294D-04.
 DIIS coeffs:      0.74301      0.61788     -1.07735      0.45507      0.26140
 Iteration  1 RMS(Cart)=  0.02086764 RMS(Int)=  0.00020767
 Iteration  2 RMS(Cart)=  0.00027198 RMS(Int)=  0.00003563
 Iteration  3 RMS(Cart)=  0.00000007 RMS(Int)=  0.00003563
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.60652   0.00029   0.00064   0.00016   0.00080   2.60732
    R2        2.72255  -0.00396  -0.00615   0.00134  -0.00482   2.71774
    R3        1.86183  -0.00065  -0.00059  -0.00067  -0.00126   1.86057
    R4        2.71121   0.00023   0.00183  -0.00203  -0.00020   2.71101
    R5        1.86241   0.00073  -0.00145   0.00306   0.00161   1.86402
    R6        2.28746  -0.00001   0.00015   0.00046   0.00061   2.28807
    R7        2.69633  -0.00114  -0.00108   0.00025  -0.00083   2.69550
    R8        1.88335  -0.00184  -0.00207  -0.00047  -0.00254   1.88081
    R9        2.29159   0.00053   0.00057  -0.00001   0.00055   2.29214
   R10        2.94674  -0.00029   0.00015  -0.00093  -0.00072   2.94602
   R11        2.97723  -0.00267  -0.00223  -0.00316  -0.00539   2.97184
   R12        2.90597  -0.00093   0.00065  -0.00311  -0.00246   2.90351
   R13        2.89147  -0.00063  -0.00154  -0.00006  -0.00161   2.88986
   R14        2.90144  -0.00109  -0.00126  -0.00118  -0.00242   2.89902
   R15        2.90602   0.00016  -0.00029   0.00056   0.00026   2.90627
   R16        2.12477  -0.00067  -0.00094  -0.00056  -0.00150   2.12328
   R17        2.93705   0.00090   0.00146   0.00014   0.00162   2.93866
   R18        2.90376  -0.00031   0.00033  -0.00034   0.00001   2.90377
   R19        2.11944  -0.00049  -0.00081  -0.00104  -0.00186   2.11758
   R20        2.96339   0.00289   0.00342  -0.00144   0.00194   2.96533
   R21        2.97395   0.00251   0.00097  -0.00250  -0.00152   2.97243
   R22        2.96699  -0.00146  -0.00438   0.00325  -0.00113   2.96585
   R23        2.89793  -0.00065   0.00001  -0.00031  -0.00030   2.89762
   R24        2.94130  -0.00121  -0.00116  -0.00167  -0.00284   2.93846
   R25        2.08185   0.00006   0.00043  -0.00057  -0.00013   2.08171
   R26        2.07812   0.00137   0.00146   0.00174   0.00320   2.08133
   R27        2.91084  -0.00039   0.00098  -0.00098  -0.00002   2.91081
   R28        2.09749  -0.00002   0.00017  -0.00060  -0.00042   2.09707
   R29        2.10332  -0.00049  -0.00095  -0.00031  -0.00126   2.10206
   R30        2.87406  -0.00037  -0.00170   0.00191   0.00022   2.87428
   R31        2.11862  -0.00060  -0.00151   0.00033  -0.00118   2.11744
   R32        2.11228  -0.00022  -0.00063  -0.00019  -0.00081   2.11146
   R33        2.89271  -0.00008  -0.00116   0.00197   0.00081   2.89351
   R34        2.90749   0.00138   0.00113   0.00041   0.00153   2.90902
   R35        2.86654   0.00123   0.00200  -0.00047   0.00154   2.86808
   R36        2.89527  -0.00028   0.00127  -0.00072   0.00055   2.89582
   R37        2.09442  -0.00029  -0.00029  -0.00051  -0.00079   2.09363
   R38        2.09451   0.00051   0.00068   0.00048   0.00116   2.09567
   R39        2.07011  -0.00006  -0.00031   0.00016  -0.00015   2.06996
   R40        2.07526  -0.00014  -0.00046   0.00009  -0.00037   2.07489
   R41        2.08170  -0.00015  -0.00022  -0.00042  -0.00064   2.08105
   R42        2.84010  -0.00061  -0.00084   0.00097   0.00012   2.84022
   R43        2.09994  -0.00030  -0.00037  -0.00053  -0.00089   2.09905
   R44        2.09967  -0.00026  -0.00016  -0.00060  -0.00076   2.09891
   R45        2.53246   0.00045   0.00085  -0.00041   0.00044   2.53289
   R46        2.87843  -0.00235  -0.00382  -0.00049  -0.00432   2.87412
   R47        2.07261   0.00003  -0.00013   0.00025   0.00012   2.07273
   R48        2.06907  -0.00002  -0.00021   0.00030   0.00009   2.06916
   R49        2.07820  -0.00005  -0.00018   0.00008  -0.00009   2.07811
   R50        2.07501   0.00002  -0.00024   0.00018  -0.00006   2.07495
   R51        2.07735   0.00041   0.00000   0.00064   0.00064   2.07799
   R52        2.07702   0.00004  -0.00043   0.00082   0.00038   2.07740
   R53        2.51930   0.00071   0.00150  -0.00059   0.00091   2.52021
   R54        2.06396  -0.00027  -0.00040  -0.00017  -0.00057   2.06338
   R55        2.79662  -0.00051  -0.00105  -0.00004  -0.00109   2.79552
   R56        2.06215   0.00014   0.00012   0.00006   0.00018   2.06233
   R57        2.08521   0.00076   0.00025   0.00190   0.00215   2.08736
   R58        2.10344  -0.00099  -0.00117  -0.00118  -0.00235   2.10109
   R59        2.81900  -0.00004   0.00001  -0.00024  -0.00024   2.81877
   R60        2.06252   0.00010   0.00010   0.00008   0.00018   2.06269
    A1        1.94958  -0.00125  -0.00620   0.00251  -0.00369   1.94589
    A2        1.94146  -0.00033  -0.00103  -0.00130  -0.00233   1.93913
    A3        1.92406  -0.00101  -0.00398   0.00190  -0.00207   1.92198
    A4        1.74087  -0.00009  -0.00105   0.00134   0.00036   1.74123
    A5        1.89692  -0.00019  -0.00034  -0.00268  -0.00302   1.89390
    A6        1.98702   0.00028   0.00016   0.00082   0.00097   1.98799
    A7        2.01292  -0.00011  -0.00007  -0.00174  -0.00184   2.01108
    A8        1.89948   0.00024   0.00112   0.00280   0.00390   1.90338
    A9        1.92277  -0.00012   0.00008  -0.00042  -0.00034   1.92244
   A10        1.93394   0.00079   0.00338  -0.00082   0.00253   1.93648
   A11        1.82102  -0.00038  -0.00237   0.00062  -0.00164   1.81937
   A12        1.88777  -0.00008   0.00036   0.00170   0.00205   1.88982
   A13        2.07705  -0.00016  -0.00043  -0.00026  -0.00080   2.07625
   A14        1.89107  -0.00061  -0.00254  -0.00233  -0.00484   1.88623
   A15        1.84389   0.00044   0.00169   0.00151   0.00319   1.84708
   A16        1.89405   0.00040   0.00111   0.00272   0.00385   1.89790
   A17        1.93863  -0.00113  -0.00213  -0.00139  -0.00353   1.93509
   A18        1.90891   0.00026   0.00028  -0.00117  -0.00089   1.90802
   A19        1.94673   0.00054   0.00036  -0.00033   0.00002   1.94674
   A20        1.86777  -0.00026   0.00108   0.00023   0.00133   1.86909
   A21        1.90616   0.00021  -0.00059  -0.00001  -0.00061   1.90555
   A22        1.89257   0.00036  -0.00281  -0.00017  -0.00300   1.88957
   A23        1.80657  -0.00074  -0.00039  -0.00088  -0.00127   1.80530
   A24        1.82241  -0.00041  -0.00099   0.00017  -0.00081   1.82160
   A25        1.97301  -0.00088   0.00123   0.00186   0.00312   1.97613
   A26        1.95623  -0.00129  -0.00244  -0.00327  -0.00569   1.95053
   A27        1.99688   0.00292   0.00482   0.00223   0.00702   2.00390
   A28        1.96718  -0.00017   0.00083  -0.00263  -0.00183   1.96535
   A29        1.89021   0.00037  -0.00474   0.00980   0.00503   1.89524
   A30        1.83155  -0.00013   0.00338  -0.00825  -0.00476   1.82679
   A31        1.81619   0.00039   0.00249   0.00038   0.00302   1.81921
   A32        1.99162   0.00023   0.00133   0.00229   0.00356   1.99518
   A33        1.96825  -0.00070  -0.00392  -0.00084  -0.00488   1.96337
   A34        1.83618  -0.00046  -0.00179  -0.00037  -0.00189   1.83429
   A35        1.95608   0.00017  -0.00043  -0.00018  -0.00068   1.95541
   A36        1.93757   0.00016   0.00145   0.00088   0.00223   1.93980
   A37        1.93099   0.00026   0.00061  -0.00067  -0.00012   1.93088
   A38        1.94295   0.00013   0.00151   0.00076   0.00217   1.94512
   A39        1.86181  -0.00025  -0.00125  -0.00040  -0.00160   1.86021
   A40        1.95670   0.00050   0.00247   0.00015   0.00264   1.95933
   A41        1.93084  -0.00006  -0.00079   0.00162   0.00082   1.93166
   A42        1.92136  -0.00025  -0.00103  -0.00080  -0.00184   1.91951
   A43        1.91565  -0.00012  -0.00192   0.00056  -0.00135   1.91430
   A44        1.87963  -0.00023   0.00040  -0.00041  -0.00004   1.87959
   A45        1.85631   0.00013   0.00081  -0.00125  -0.00043   1.85588
   A46        1.84892   0.00016  -0.00008   0.00018   0.00033   1.84925
   A47        1.96010  -0.00011  -0.00312   0.00196  -0.00120   1.95890
   A48        1.87150   0.00007   0.00075   0.00230   0.00300   1.87450
   A49        1.97850  -0.00041  -0.00145  -0.00100  -0.00252   1.97598
   A50        1.89822   0.00022   0.00302  -0.00282   0.00018   1.89840
   A51        1.90260   0.00011   0.00107  -0.00056   0.00054   1.90313
   A52        1.93014   0.00286   0.00206   0.00974   0.01182   1.94196
   A53        1.81752  -0.00202   0.00134  -0.00319  -0.00190   1.81562
   A54        1.88781  -0.00051  -0.00088  -0.00439  -0.00529   1.88252
   A55        2.00306  -0.00039   0.00024  -0.00118  -0.00092   2.00214
   A56        1.90845  -0.00010   0.00016  -0.00006   0.00009   1.90855
   A57        1.91239   0.00009  -0.00297  -0.00128  -0.00427   1.90811
   A58        1.88289   0.00013  -0.00196  -0.00068  -0.00263   1.88026
   A59        1.96656   0.00167   0.00295   0.00177   0.00472   1.97128
   A60        1.91141  -0.00057   0.00207  -0.00203   0.00003   1.91144
   A61        1.87465  -0.00153  -0.00379  -0.00107  -0.00485   1.86980
   A62        1.96148   0.00008  -0.00078   0.00096   0.00018   1.96166
   A63        1.86797   0.00024   0.00145   0.00115   0.00261   1.87058
   A64        1.95404   0.00053   0.00142   0.00000   0.00145   1.95549
   A65        1.91061   0.00006   0.00035   0.00069   0.00103   1.91163
   A66        1.92666  -0.00028  -0.00093   0.00037  -0.00057   1.92609
   A67        1.91285  -0.00020   0.00018  -0.00088  -0.00071   1.91214
   A68        1.91159  -0.00011   0.00023  -0.00001   0.00022   1.91181
   A69        1.84492  -0.00004  -0.00141  -0.00020  -0.00160   1.84332
   A70        1.97423  -0.00068  -0.00276   0.00082  -0.00194   1.97228
   A71        1.95215   0.00007   0.00043  -0.00044  -0.00002   1.95213
   A72        1.93660   0.00050   0.00198  -0.00057   0.00141   1.93801
   A73        1.85836   0.00050   0.00286   0.00057   0.00342   1.86179
   A74        1.88264   0.00012  -0.00062   0.00107   0.00045   1.88308
   A75        1.85359  -0.00050  -0.00184  -0.00150  -0.00334   1.85025
   A76        1.93867  -0.00011   0.00030  -0.00037  -0.00008   1.93859
   A77        1.92663   0.00041   0.00127  -0.00066   0.00061   1.92724
   A78        1.90861  -0.00009   0.00063   0.00025   0.00089   1.90950
   A79        1.91479  -0.00022  -0.00162   0.00045  -0.00116   1.91363
   A80        1.93722   0.00016   0.00005   0.00113   0.00118   1.93841
   A81        1.83538  -0.00014  -0.00067  -0.00083  -0.00150   1.83388
   A82        2.01777   0.00013  -0.00106  -0.00012  -0.00117   2.01661
   A83        2.14071  -0.00013   0.00092  -0.00065   0.00027   2.14098
   A84        2.12456   0.00000   0.00005   0.00086   0.00090   2.12546
   A85        2.14895  -0.00006   0.00025  -0.00146  -0.00116   2.14779
   A86        2.09293   0.00156   0.00121   0.00383   0.00509   2.09802
   A87        2.04110  -0.00150  -0.00163  -0.00253  -0.00411   2.03698
   A88        1.94327   0.00003  -0.00043   0.00038  -0.00005   1.94322
   A89        1.94882  -0.00012  -0.00039   0.00039   0.00000   1.94882
   A90        1.94131   0.00026   0.00004   0.00142   0.00146   1.94277
   A91        1.87812   0.00011   0.00126  -0.00092   0.00033   1.87846
   A92        1.86152  -0.00028  -0.00109  -0.00090  -0.00199   1.85953
   A93        1.88708  -0.00001   0.00065  -0.00051   0.00013   1.88721
   A94        1.95311  -0.00010  -0.00043   0.00061   0.00018   1.95329
   A95        1.96011   0.00141   0.00217   0.00144   0.00361   1.96373
   A96        1.93269  -0.00007  -0.00017   0.00023   0.00007   1.93275
   A97        1.86612  -0.00041  -0.00167   0.00243   0.00075   1.86687
   A98        1.87816  -0.00009  -0.00029  -0.00045  -0.00074   1.87742
   A99        1.86917  -0.00083   0.00028  -0.00449  -0.00420   1.86497
   A100       2.16295  -0.00027   0.00040  -0.00062  -0.00022   2.16273
   A101       2.00689   0.00059   0.00134   0.00041   0.00175   2.00863
   A102       2.11318  -0.00031  -0.00175   0.00025  -0.00151   2.11167
   A103       2.14823   0.00015   0.00005  -0.00038  -0.00033   2.14790
   A104       2.14155  -0.00025  -0.00067  -0.00004  -0.00072   2.14084
   A105       1.99334   0.00010   0.00062   0.00043   0.00105   1.99439
   A106       1.93258   0.00083   0.00031   0.00325   0.00356   1.93614
   A107       1.82465   0.00001  -0.00028   0.00089   0.00062   1.82527
   A108       1.90091   0.00017   0.00167   0.00147   0.00314   1.90405
   A109       1.98918  -0.00117  -0.00374  -0.00547  -0.00921   1.97997
   A110       1.92825  -0.00061  -0.00233   0.00103  -0.00131   1.92694
   A111       1.88382   0.00085   0.00477  -0.00104   0.00373   1.88756
   A112       2.13254  -0.00023  -0.00064   0.00021  -0.00043   2.13211
   A113       2.14707   0.00014   0.00028  -0.00033  -0.00004   2.14702
   A114       2.00358   0.00009   0.00036   0.00012   0.00047   2.00405
   A115       2.14250  -0.00014  -0.00014  -0.00066  -0.00075   2.14176
   A116       2.12501  -0.00029  -0.00051  -0.00021  -0.00066   2.12435
   A117       2.01556   0.00044   0.00067   0.00078   0.00150   2.01707
    D1        0.14948  -0.00057   0.05078  -0.09450  -0.04381   0.10567
    D2        2.14911   0.00004   0.05136  -0.08950  -0.03807   2.11105
    D3       -2.02785  -0.00067   0.04615  -0.09000  -0.04383  -2.07167
    D4       -1.26385  -0.00091  -0.04723   0.05367   0.00647  -1.25738
    D5        2.85887  -0.00077  -0.04950   0.05166   0.00216   2.86103
    D6        0.82557   0.00035  -0.04633   0.05664   0.01029   0.83585
    D7        0.53145   0.00025   0.00365   0.00960   0.01326   0.54470
    D8        2.68099  -0.00070  -0.00086   0.00537   0.00452   2.68551
    D9       -1.59222   0.00036   0.00525   0.00529   0.01054  -1.58168
   D10        3.04115   0.00035   0.00340  -0.00164   0.00177   3.04292
   D11        0.78554   0.00031   0.00347  -0.00122   0.00229   0.78783
   D12       -1.17161   0.00002   0.00250  -0.00391  -0.00140  -1.17301
   D13       -1.12865   0.00011   0.00267  -0.00402  -0.00135  -1.13000
   D14        2.89893   0.00007   0.00274  -0.00361  -0.00083   2.89810
   D15        0.94178  -0.00022   0.00177  -0.00629  -0.00452   0.93726
   D16        1.02141   0.00001   0.00264  -0.00601  -0.00338   1.01803
   D17       -1.23419  -0.00004   0.00270  -0.00559  -0.00286  -1.23705
   D18        3.09184  -0.00032   0.00174  -0.00828  -0.00655   3.08529
   D19        1.34076   0.00005   0.00017   0.01399   0.01413   1.35489
   D20       -0.70324  -0.00053   0.00391   0.00338   0.00723  -0.69601
   D21       -2.85551  -0.00007   0.00629   0.00281   0.00908  -2.84643
   D22       -0.68669   0.00038   0.00123   0.01709   0.01827  -0.66842
   D23       -2.73068  -0.00021   0.00498   0.00648   0.01137  -2.71931
   D24        1.40024   0.00026   0.00735   0.00590   0.01322   1.41345
   D25       -2.85725   0.00042   0.00026   0.01667   0.01693  -2.84032
   D26        1.38194  -0.00016   0.00401   0.00606   0.01003   1.39197
   D27       -0.77033   0.00030   0.00639   0.00548   0.01188  -0.75845
   D28        0.95974   0.00045  -0.00325   0.00881   0.00557   0.96531
   D29       -1.18486   0.00028  -0.00195   0.00681   0.00484  -1.18002
   D30        3.05168   0.00031  -0.00183   0.00785   0.00600   3.05769
   D31        2.89643   0.00016  -0.00479   0.00781   0.00310   2.89953
   D32        0.75182   0.00000  -0.00349   0.00581   0.00237   0.75419
   D33       -1.29482   0.00003  -0.00337   0.00685   0.00353  -1.29129
   D34       -1.22842   0.00031  -0.00328   0.00991   0.00666  -1.22176
   D35        2.91016   0.00014  -0.00197   0.00791   0.00593   2.91609
   D36        0.86352   0.00017  -0.00186   0.00895   0.00709   0.87061
   D37        1.06284   0.00001   0.00127  -0.01101  -0.00971   1.05313
   D38       -3.12202   0.00023   0.00332  -0.01001  -0.00666  -3.12868
   D39       -1.05566  -0.00003   0.00259  -0.01256  -0.00995  -1.06560
   D40       -0.86157  -0.00018   0.00179  -0.01474  -0.01300  -0.87457
   D41        1.23676   0.00004   0.00383  -0.01374  -0.00994   1.22681
   D42       -2.98006  -0.00022   0.00310  -0.01629  -0.01323  -2.99329
   D43       -3.08444  -0.00014   0.00101  -0.01424  -0.01322  -3.09767
   D44       -0.98612   0.00008   0.00305  -0.01324  -0.01017  -0.99629
   D45        1.08025  -0.00017   0.00232  -0.01579  -0.01346   1.06679
   D46        1.08937  -0.00020  -0.00308  -0.00407  -0.00714   1.08223
   D47       -3.04777   0.00002  -0.00327  -0.00355  -0.00681  -3.05458
   D48       -0.94251  -0.00026  -0.00516  -0.00522  -0.01039  -0.95290
   D49       -3.08367  -0.00016  -0.00377  -0.00414  -0.00781  -3.09148
   D50       -0.93762   0.00006  -0.00396  -0.00361  -0.00748  -0.94511
   D51        1.16763  -0.00021  -0.00584  -0.00528  -0.01106   1.15657
   D52       -0.97906  -0.00019  -0.00392  -0.00424  -0.00814  -0.98720
   D53        1.16699   0.00003  -0.00411  -0.00371  -0.00781   1.15918
   D54       -3.01094  -0.00025  -0.00600  -0.00538  -0.01139  -3.02233
   D55       -0.56697   0.00001  -0.01068  -0.00048  -0.01121  -0.57818
   D56        1.53247   0.00014  -0.01128  -0.00163  -0.01291   1.51956
   D57       -2.67072   0.00004  -0.01218  -0.00165  -0.01388  -2.68460
   D58       -2.73327  -0.00062  -0.01288   0.00027  -0.01266  -2.74593
   D59       -0.63383  -0.00049  -0.01348  -0.00088  -0.01436  -0.64818
   D60        1.44617  -0.00059  -0.01438  -0.00090  -0.01533   1.43084
   D61        1.42155  -0.00006  -0.01061   0.00228  -0.00833   1.41321
   D62       -2.76220   0.00006  -0.01122   0.00114  -0.01003  -2.77223
   D63       -0.68220  -0.00003  -0.01212   0.00111  -0.01100  -0.69320
   D64        1.09087  -0.00042   0.00401   0.00838   0.01238   1.10325
   D65       -0.90173   0.00075   0.00554   0.00852   0.01405  -0.88767
   D66        3.09342  -0.00141  -0.00017   0.00667   0.00650   3.09992
   D67       -1.05028   0.00037   0.00568   0.00848   0.01418  -1.03611
   D68       -3.04288   0.00153   0.00722   0.00863   0.01585  -3.02702
   D69        0.95227  -0.00062   0.00151   0.00678   0.00830   0.96056
   D70       -3.13409  -0.00004   0.00552   0.00854   0.01408  -3.12002
   D71        1.15650   0.00113   0.00706   0.00869   0.01575   1.17225
   D72       -1.13154  -0.00103   0.00135   0.00684   0.00820  -1.12335
   D73       -3.04852  -0.00004   0.00444  -0.00532  -0.00090  -3.04941
   D74        1.10983  -0.00018   0.00302  -0.00469  -0.00168   1.10815
   D75       -0.91401  -0.00001   0.00506  -0.00507  -0.00002  -0.91403
   D76       -0.93311   0.00006   0.00463  -0.00304   0.00157  -0.93154
   D77       -3.05794  -0.00008   0.00321  -0.00241   0.00079  -3.05715
   D78        1.20139   0.00009   0.00525  -0.00279   0.00246   1.20385
   D79        1.12780   0.00020   0.00580  -0.00297   0.00284   1.13063
   D80       -0.99704   0.00006   0.00438  -0.00234   0.00205  -0.99499
   D81       -3.02089   0.00023   0.00642  -0.00272   0.00372  -3.01717
   D82        2.97646   0.00096  -0.00620  -0.00860  -0.01480   2.96166
   D83       -1.25722   0.00015  -0.00285  -0.00651  -0.00936  -1.26658
   D84        0.89951  -0.00009  -0.00647  -0.00910  -0.01558   0.88393
   D85       -1.26282   0.00052  -0.00918  -0.00842  -0.01762  -1.28044
   D86        0.78668  -0.00028  -0.00584  -0.00634  -0.01218   0.77450
   D87        2.94341  -0.00053  -0.00946  -0.00893  -0.01840   2.92501
   D88        1.00478   0.00056  -0.00699  -0.00928  -0.01627   0.98850
   D89        3.05428  -0.00025  -0.00364  -0.00720  -0.01083   3.04345
   D90       -1.07218  -0.00049  -0.00726  -0.00979  -0.01705  -1.08923
   D91        1.11565  -0.00033  -0.01261  -0.00779  -0.02040   1.09525
   D92       -3.10118  -0.00114  -0.01681  -0.00851  -0.02532  -3.12650
   D93       -1.02428  -0.00016  -0.01168  -0.00731  -0.01899  -1.04327
   D94       -0.92941   0.00012  -0.00750  -0.00607  -0.01357  -0.94298
   D95        1.13695  -0.00069  -0.01170  -0.00679  -0.01849   1.11847
   D96       -3.06933   0.00029  -0.00657  -0.00558  -0.01216  -3.08149
   D97        3.07791  -0.00010  -0.01138  -0.00771  -0.01912   3.05879
   D98       -1.13891  -0.00091  -0.01559  -0.00843  -0.02404  -1.16295
   D99        0.93799   0.00007  -0.01045  -0.00722  -0.01772   0.92028
   D100      -1.72177   0.00023  -0.01049  -0.00570  -0.01623  -1.73800
   D101       0.44684  -0.00024  -0.01423  -0.00560  -0.01990   0.42694
   D102       2.53645  -0.00012  -0.01430  -0.00364  -0.01800   2.51844
   D103       0.37499   0.00042  -0.01055  -0.00383  -0.01431   0.36068
   D104       2.54359  -0.00005  -0.01428  -0.00373  -0.01797   2.52562
   D105      -1.64998   0.00007  -0.01435  -0.00176  -0.01608  -1.66606
   D106       2.54242   0.00056  -0.00957  -0.00124  -0.01075   2.53167
   D107      -1.57216   0.00009  -0.01330  -0.00114  -0.01442  -1.58658
   D108       0.51745   0.00020  -0.01338   0.00083  -0.01252   0.50493
   D109      -2.73355   0.00012   0.02005  -0.01040   0.00956  -2.72398
   D110       0.38599  -0.00004   0.02049  -0.01903   0.00143   0.38742
   D111       1.38782   0.00027   0.01563  -0.00258   0.01309   1.40091
   D112      -1.77584   0.00011   0.01608  -0.01121   0.00495  -1.77088
   D113      -0.67970   0.00011   0.01432  -0.00411   0.01018  -0.66952
   D114       2.43983  -0.00005   0.01476  -0.01274   0.00204   2.44187
   D115       0.11276   0.00001   0.01341   0.00276   0.01620   0.12896
   D116      -2.04433   0.00030   0.01823   0.00080   0.01907  -2.02526
   D117       2.11953   0.00027   0.01570   0.00418   0.01992   2.13945
   D118      -2.00317  -0.00006   0.01468   0.00357   0.01822  -1.98495
   D119       2.12293   0.00023   0.01950   0.00161   0.02108   2.14401
   D120       0.00360   0.00020   0.01696   0.00498   0.02194   0.02554
   D121       2.21296   0.00000   0.01488   0.00401   0.01891   2.23187
   D122       0.05587   0.00028   0.01970   0.00205   0.02177   0.07764
   D123      -2.06346   0.00025   0.01716   0.00543   0.02263  -2.04083
   D124       1.29821   0.00118   0.00764   0.00564   0.01323   1.31144
   D125      -0.81426  -0.00076   0.00399  -0.00358   0.00039  -0.81386
   D126      -2.96889  -0.00041   0.00594  -0.00163   0.00428  -2.96461
   D127      -2.83181   0.00137   0.00694   0.00822   0.01515  -2.81665
   D128       1.33891  -0.00056   0.00329  -0.00100   0.00231   1.34123
   D129      -0.81572  -0.00022   0.00524   0.00095   0.00620  -0.80952
   D130      -0.81793   0.00133   0.00712   0.00681   0.01392  -0.80401
   D131      -2.93039  -0.00061   0.00347  -0.00240   0.00108  -2.92932
   D132       1.19816  -0.00026   0.00542  -0.00046   0.00497   1.20313
   D133       1.07296   0.00004   0.00004   0.00830   0.00827   1.08124
   D134      -3.11049   0.00012   0.00108   0.00765   0.00867  -3.10182
   D135      -1.00068   0.00021   0.00166   0.00825   0.00985  -0.99083
   D136      -3.11532  -0.00013  -0.00330   0.00925   0.00600  -3.10931
   D137      -1.01559  -0.00006  -0.00226   0.00860   0.00640  -1.00919
   D138       1.09422   0.00003  -0.00168   0.00920   0.00758   1.10181
   D139      -0.99844  -0.00005   0.00034   0.00459   0.00494  -0.99351
   D140       1.10129   0.00003   0.00138   0.00394   0.00533   1.10662
   D141      -3.07209   0.00012   0.00196   0.00455   0.00651  -3.06557
   D142       0.95993   0.00090   0.00808   0.00251   0.01059   0.97052
   D143      -2.19947   0.00076   0.00245   0.00856   0.01103  -2.18845
   D144      -1.16440  -0.00029   0.00783   0.00140   0.00921  -1.15519
   D145       1.95938  -0.00043   0.00220   0.00745   0.00965   1.96903
   D146       3.06883   0.00033   0.00886   0.00012   0.00897   3.07780
   D147      -0.09057   0.00019   0.00323   0.00617   0.00941  -0.08116
   D148      -0.90634   0.00006   0.01641   0.01938   0.03580  -0.87055
   D149       1.19271   0.00045   0.01547   0.02397   0.03945   1.23216
   D150      -3.00177   0.00029   0.01719   0.01938   0.03657  -2.96520
   D151       1.16484   0.00021   0.01328   0.01889   0.03216   1.19700
   D152      -3.01929   0.00060   0.01233   0.02348   0.03581  -2.98347
   D153      -0.93059   0.00044   0.01405   0.01889   0.03294  -0.89765
   D154      -3.00837  -0.00040   0.01109   0.02007   0.03115  -2.97722
   D155      -0.90931  -0.00001   0.01015   0.02466   0.03480  -0.87451
   D156       1.17938  -0.00017   0.01187   0.02007   0.03193   1.21131
   D157       2.17756  -0.00050  -0.00515  -0.00565  -0.01080   2.16676
   D158      -0.98330  -0.00056  -0.00607  -0.00369  -0.00975  -0.99304
   D159       0.08513  -0.00032  -0.00358  -0.00404  -0.00762   0.07751
   D160      -3.07572  -0.00039  -0.00449  -0.00208  -0.00657  -3.08229
   D161      -1.96879   0.00135   0.00057  -0.00399  -0.00343  -1.97222
   D162       1.15354   0.00128  -0.00034  -0.00203  -0.00238   1.15116
   D163       0.92284  -0.00025  -0.00516  -0.00227  -0.00742   0.91542
   D164      -1.20517  -0.00017  -0.00418  -0.00215  -0.00632  -1.21149
   D165       3.06688  -0.00019  -0.00445  -0.00092  -0.00536   3.06151
   D166       3.04638   0.00005  -0.00364  -0.00200  -0.00564   3.04075
   D167       0.91838   0.00012  -0.00267  -0.00187  -0.00454   0.91384
   D168      -1.09276   0.00011  -0.00294  -0.00065  -0.00359  -1.09635
   D169      -1.22024  -0.00018  -0.00510  -0.00273  -0.00783  -1.22807
   D170       2.93494  -0.00010  -0.00412  -0.00261  -0.00673   2.92820
   D171       0.92380  -0.00011  -0.00440  -0.00138  -0.00578   0.91802
   D172      -0.97130  -0.00034  -0.00130   0.00269   0.00139  -0.96991
   D173       2.18793  -0.00020   0.00425  -0.00328   0.00096   2.18889
   D174       1.16359  -0.00005  -0.00061   0.00193   0.00132   1.16491
   D175      -1.96037   0.00009   0.00494  -0.00405   0.00089  -1.95948
   D176      -3.09875  -0.00026  -0.00236   0.00184  -0.00051  -3.09926
   D177       0.06047  -0.00012   0.00319  -0.00413  -0.00094   0.05953
   D178       0.02615   0.00021   0.00351  -0.00647  -0.00296   0.02319
   D179      -3.12800   0.00005   0.00349  -0.00610  -0.00261  -3.13061
   D180      -3.13433   0.00006  -0.00245  -0.00007  -0.00251  -3.13684
   D181      -0.00529  -0.00009  -0.00248   0.00031  -0.00216  -0.00745
   D182      -0.28930  -0.00029  -0.00451   0.02173   0.01719  -0.27212
   D183      -2.34050  -0.00012  -0.00192   0.02192   0.01998  -2.32052
   D184       1.81821   0.00007  -0.00375   0.02641   0.02262   1.84083
   D185       2.87361  -0.00012  -0.00500   0.03014   0.02516   2.89876
   D186       0.82241   0.00006  -0.00242   0.03033   0.02795   0.85036
   D187      -1.30207   0.00024  -0.00425   0.03481   0.03059  -1.27148
   D188      -0.01450   0.00006  -0.00280   0.00212  -0.00069  -0.01519
   D189       3.12987  -0.00002  -0.00182   0.00139  -0.00044   3.12943
   D190      -3.13571   0.00012  -0.00188   0.00005  -0.00183  -3.13754
   D191       0.00866   0.00004  -0.00090  -0.00068  -0.00158   0.00708
   D192      -3.10657   0.00025   0.00757  -0.00301   0.00455  -3.10202
   D193       0.05033  -0.00045  -0.00958   0.00382  -0.00575   0.04458
   D194       0.04660   0.00039   0.00760  -0.00335   0.00424   0.05084
   D195      -3.07968  -0.00030  -0.00955   0.00348  -0.00606  -3.08574
   D196       3.10020  -0.00036  -0.00770   0.00515  -0.00256   3.09764
   D197      -0.05653   0.00033   0.00923  -0.00161   0.00762  -0.04891
   D198      -0.04396  -0.00029  -0.00860   0.00582  -0.00279  -0.04675
   D199       3.08249   0.00040   0.00833  -0.00094   0.00739   3.08989
         Item               Value     Threshold  Converged?
 Maximum Force            0.003960     0.000450     NO 
 RMS     Force            0.000643     0.000300     NO 
 Maximum Displacement     0.134303     0.001800     NO 
 RMS     Displacement     0.020877     0.001200     NO 
 Predicted change in Energy=-2.111083D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C22H29FO5
 Framework group  C1[X(C22H29FO5)]
 Deg. of freedom   165
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          9           0        1.527687    0.004642   -1.376968
      2          8           0       -3.009448    0.337211   -1.805452
      3          8           0        0.346420   -2.168664    1.232336
      4          8           0       -4.781658   -0.284080    1.120837
      5          8           0       -5.690767   -2.329785   -0.342399
      6          8           0        6.464191   -0.168318   -1.470976
      7          6           0       -1.640585   -0.141478    0.238403
      8          6           0       -0.744802    1.110582   -0.007135
      9          6           0        0.639176    0.928227    0.629103
     10          6           0        1.341136   -0.286704   -0.041309
     11          6           0       -2.995811    0.377097   -0.367904
     12          6           0       -1.619153    2.294668    0.438614
     13          6           0       -1.013599   -1.340304   -0.489911
     14          6           0       -3.075865    1.875586    0.091809
     15          6           0        0.449498   -1.577617   -0.070785
     16          6           0        2.795416   -0.501497    0.518223
     17          6           0        1.477054    2.209162    0.493723
     18          6           0       -1.849563   -0.473635    1.716445
     19          6           0        2.909046    2.016265    1.004058
     20          6           0        3.554320    0.819377    0.363725
     21          6           0       -4.227394   -0.432731    0.054665
     22          6           0       -3.722041    2.766101   -0.958376
     23          6           0        2.815437   -0.863665    2.014268
     24          6           0        3.462484   -1.642347   -0.228072
     25          6           0        4.726665    0.909241   -0.279755
     26          6           0       -4.769099   -1.431083   -0.956787
     27          6           0        4.627230   -1.532450   -0.868292
     28          6           0        5.384101   -0.248356   -0.924858
     29          1           0       -0.605637    1.232460   -1.115391
     30          1           0        0.518196    0.680518    1.715239
     31          1           0       -1.520187    2.498766    1.516603
     32          1           0       -1.331056    3.220218   -0.084279
     33          1           0       -1.069845   -1.203722   -1.589759
     34          1           0       -1.585553   -2.266245   -0.260004
     35          1           0       -3.692327    1.906719    1.026970
     36          1           0        0.912070   -2.331586   -0.753428
     37          1           0        0.990677    3.030942    1.055467
     38          1           0        1.501931    2.543958   -0.563222
     39          1           0       -2.335819    0.335284    2.272373
     40          1           0       -2.473470   -1.367174    1.850214
     41          1           0       -0.891051   -0.695593    2.211148
     42          1           0        2.914198    1.897104    2.108405
     43          1           0        3.497228    2.938293    0.810277
     44          1           0       -4.757770    2.463697   -1.155558
     45          1           0       -3.736841    3.815156   -0.645028
     46          1           0       -3.189320    2.703210   -1.918357
     47          1           0        2.206779   -0.171977    2.611552
     48          1           0        2.432962   -1.876364    2.207471
     49          1           0        3.840716   -0.829401    2.409391
     50          1           0       -2.201674   -0.098495   -2.161886
     51          1           0        2.926295   -2.592971   -0.195612
     52          1           0        1.195196   -2.596137    1.496588
     53          1           0        5.272340    1.848906   -0.381155
     54          1           0       -3.990645   -2.084177   -1.389888
     55          1           0       -5.279110   -0.900545   -1.790226
     56          1           0        5.099327   -2.366072   -1.391396
     57          1           0       -6.168579   -1.874075    0.402321
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.4228178      0.1023847      0.0946571
 Standard basis: VSTO-6G (5D, 7F)
 There are   141 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   141 basis functions,   846 primitive gaussians,   141 cartesian basis functions
    77 alpha electrons       77 beta electrons
       nuclear repulsion energy      1659.1940459479 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   141 RedAO= F  NBF=   141
 NBsUse=   141 1.00D-04 NBFU=   141
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=982442.
 SCF Done:  E(RPM6) = -0.414365524775     A.U. after   12 cycles
             Convg  =    0.5498D-08             -V/T =  0.9987
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        9          -0.000468500   -0.000018655    0.000148019
      2        8          -0.000813420    0.000844290   -0.001532948
      3        8           0.000187437    0.000242398   -0.000723597
      4        8           0.000483103   -0.000442764    0.000524978
      5        8          -0.000144953   -0.000608468   -0.000289028
      6        8           0.000357037    0.000137090   -0.000077568
      7        6          -0.001988675   -0.000449731   -0.000315455
      8        6           0.000152367   -0.000255213    0.000318022
      9        6          -0.000042718   -0.000223794    0.000351735
     10        6          -0.000104184    0.000587627    0.000035587
     11        6           0.002491409   -0.000511677    0.002251645
     12        6          -0.000534506    0.000593844    0.000474205
     13        6           0.000277512    0.000429059   -0.000425357
     14        6          -0.000359016    0.000647769   -0.001127738
     15        6           0.000221344   -0.000504808    0.000584682
     16        6          -0.000069334   -0.000316340   -0.000383810
     17        6           0.000023664    0.000082808   -0.000377625
     18        6          -0.000024322   -0.000002722    0.000092123
     19        6          -0.000043703    0.000289850    0.000172871
     20        6          -0.000115845   -0.000324521   -0.000172279
     21        6          -0.001747250    0.000722835   -0.000711114
     22        6           0.000385050    0.000020979   -0.000045493
     23        6           0.000029910    0.000069207   -0.000068546
     24        6          -0.000106131    0.000243170    0.000037794
     25        6           0.000466128    0.000539105   -0.000108422
     26        6          -0.000857434   -0.000612355    0.000033212
     27        6           0.000342380    0.000198161   -0.000095040
     28        6          -0.000887273   -0.000525670    0.000343147
     29        1           0.000090205    0.000107918   -0.000243465
     30        1           0.000116351   -0.000181975   -0.000040634
     31        1           0.000137810   -0.000003239   -0.000178206
     32        1           0.000218194   -0.000626590   -0.000182194
     33        1           0.000206462    0.000131965    0.000305580
     34        1          -0.000041008   -0.000050141   -0.000087695
     35        1           0.000039419   -0.000137597    0.000369773
     36        1          -0.000040584    0.000134368    0.000254138
     37        1           0.000087531   -0.000019903    0.000106739
     38        1          -0.000027210   -0.000235626    0.000205016
     39        1           0.000126211   -0.000248772    0.000258105
     40        1           0.000293107    0.000182044   -0.000062513
     41        1          -0.000129589    0.000375072   -0.000183262
     42        1           0.000186651   -0.000078166    0.000016529
     43        1          -0.000017054    0.000103575   -0.000026060
     44        1           0.000011079    0.000104643    0.000137244
     45        1           0.000080570    0.000062549   -0.000020327
     46        1          -0.000220100    0.000075396    0.000014937
     47        1          -0.000118116    0.000155269    0.000013763
     48        1          -0.000433885    0.000030027    0.000151074
     49        1          -0.000078097    0.000080715   -0.000057011
     50        1           0.000321802   -0.000739601    0.000226722
     51        1           0.000331052   -0.000125648    0.000095914
     52        1           0.000167061   -0.000469757    0.000090372
     53        1          -0.000035071   -0.000127397   -0.000027434
     54        1           0.000621064    0.000344232   -0.000372968
     55        1           0.000025599   -0.000178268   -0.000529108
     56        1           0.000057987    0.000002039   -0.000014694
     57        1           0.000912483    0.000481392    0.000865665
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.002491409 RMS     0.000484288

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.001312109 RMS     0.000256828
 Search for a local minimum.
 Step number  12 out of a maximum of  342
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   10   11   12
 DE= -3.34D-04 DEPred=-2.11D-04 R= 1.58D+00
 SS=  1.41D+00  RLast= 2.05D-01 DXNew= 3.7243D+00 6.1461D-01
 Trust test= 1.58D+00 RLast= 2.05D-01 DXMaxT set to 2.21D+00
     Eigenvalues ---    0.00077   0.00226   0.00243   0.00259   0.00292
     Eigenvalues ---    0.00425   0.00448   0.00522   0.00600   0.00642
     Eigenvalues ---    0.00704   0.00775   0.01167   0.01331   0.01366
     Eigenvalues ---    0.01401   0.01460   0.01553   0.01653   0.01661
     Eigenvalues ---    0.01746   0.01945   0.02100   0.02237   0.02317
     Eigenvalues ---    0.02463   0.03069   0.03356   0.03717   0.03784
     Eigenvalues ---    0.03957   0.04085   0.04249   0.04393   0.04534
     Eigenvalues ---    0.04650   0.04821   0.04869   0.04971   0.04981
     Eigenvalues ---    0.05040   0.05149   0.05217   0.05324   0.05350
     Eigenvalues ---    0.05389   0.05427   0.05519   0.05522   0.05628
     Eigenvalues ---    0.05782   0.05927   0.06124   0.06255   0.06646
     Eigenvalues ---    0.06848   0.06956   0.07063   0.07127   0.07305
     Eigenvalues ---    0.07605   0.07965   0.08114   0.08254   0.08275
     Eigenvalues ---    0.08296   0.08890   0.09146   0.09230   0.10607
     Eigenvalues ---    0.11254   0.11685   0.11937   0.12893   0.13523
     Eigenvalues ---    0.13746   0.14528   0.15012   0.15055   0.15753
     Eigenvalues ---    0.15865   0.15988   0.15997   0.15998   0.16000
     Eigenvalues ---    0.16000   0.16001   0.16003   0.16007   0.16027
     Eigenvalues ---    0.16048   0.16128   0.16511   0.16529   0.17535
     Eigenvalues ---    0.17585   0.18424   0.19185   0.19783   0.20904
     Eigenvalues ---    0.21254   0.22430   0.22887   0.23477   0.23880
     Eigenvalues ---    0.24935   0.25043   0.25194   0.26096   0.26431
     Eigenvalues ---    0.26620   0.27304   0.27755   0.27848   0.28190
     Eigenvalues ---    0.28457   0.28706   0.29206   0.29500   0.29640
     Eigenvalues ---    0.30466   0.31016   0.32083   0.32401   0.33233
     Eigenvalues ---    0.33497   0.33761   0.33876   0.33915   0.33993
     Eigenvalues ---    0.34018   0.34047   0.34079   0.34110   0.34115
     Eigenvalues ---    0.34216   0.34232   0.34249   0.34271   0.34287
     Eigenvalues ---    0.34292   0.34318   0.34349   0.34383   0.34444
     Eigenvalues ---    0.34468   0.34700   0.34917   0.35078   0.35345
     Eigenvalues ---    0.35423   0.35572   0.36746   0.42183   0.43370
     Eigenvalues ---    0.44166   0.48107   0.52472   0.52592   0.53479
     Eigenvalues ---    0.53579   0.56615   0.58388   0.89071   0.92389
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    12   11   10    9    8
 RFO step:  Lambda=-7.40369743D-05.
 DIIS coeffs:      1.30828      0.48765     -0.90877     -0.52714      0.63998
 Iteration  1 RMS(Cart)=  0.02760077 RMS(Int)=  0.00706928
 Iteration  2 RMS(Cart)=  0.00706309 RMS(Int)=  0.00027554
 Iteration  3 RMS(Cart)=  0.00028047 RMS(Int)=  0.00003882
 Iteration  4 RMS(Cart)=  0.00000030 RMS(Int)=  0.00003882
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.60732   0.00008   0.00094  -0.00015   0.00079   2.60811
    R2        2.71774  -0.00130  -0.00076  -0.00111  -0.00187   2.71587
    R3        1.86057   0.00001  -0.00010  -0.00016  -0.00026   1.86031
    R4        2.71101   0.00048  -0.00128   0.00036  -0.00091   2.71009
    R5        1.86402  -0.00007   0.00417   0.00390   0.00807   1.87209
    R6        2.28807  -0.00061   0.00146   0.00000   0.00146   2.28953
    R7        2.69550  -0.00083  -0.00127  -0.00123  -0.00250   2.69300
    R8        1.88081  -0.00131   0.00056  -0.00219  -0.00163   1.87918
    R9        2.29214   0.00028  -0.00017  -0.00006  -0.00024   2.29191
   R10        2.94602   0.00028   0.00169  -0.00074   0.00102   2.94703
   R11        2.97184  -0.00085   0.00000  -0.00620  -0.00619   2.96565
   R12        2.90351   0.00058   0.00062  -0.00155  -0.00094   2.90257
   R13        2.88986  -0.00009   0.00049  -0.00243  -0.00194   2.88792
   R14        2.89902  -0.00002   0.00037  -0.00168  -0.00128   2.89774
   R15        2.90627  -0.00001   0.00094  -0.00154  -0.00061   2.90567
   R16        2.12328  -0.00023  -0.00089  -0.00153  -0.00242   2.12085
   R17        2.93866   0.00007   0.00186   0.00046   0.00235   2.94102
   R18        2.90377   0.00018  -0.00031  -0.00024  -0.00053   2.90323
   R19        2.11758  -0.00001  -0.00100   0.00002  -0.00098   2.11660
   R20        2.96533  -0.00079   0.00412  -0.00308   0.00100   2.96633
   R21        2.97243  -0.00016   0.00013  -0.00039  -0.00025   2.97217
   R22        2.96585  -0.00049  -0.00117   0.00120   0.00002   2.96587
   R23        2.89762   0.00055  -0.00418   0.00272  -0.00146   2.89616
   R24        2.93846  -0.00014  -0.00119  -0.00272  -0.00394   2.93451
   R25        2.08171   0.00018  -0.00045  -0.00034  -0.00078   2.08093
   R26        2.08133   0.00047   0.00240   0.00287   0.00527   2.08660
   R27        2.91081  -0.00017  -0.00045  -0.00044  -0.00092   2.90989
   R28        2.09707   0.00029   0.00003  -0.00014  -0.00011   2.09696
   R29        2.10206   0.00000   0.00005   0.00014   0.00019   2.10226
   R30        2.87428  -0.00019  -0.00035  -0.00097  -0.00132   2.87296
   R31        2.11744  -0.00032   0.00017  -0.00068  -0.00050   2.11694
   R32        2.11146   0.00022  -0.00035  -0.00012  -0.00047   2.11099
   R33        2.89351   0.00005   0.00061   0.00159   0.00215   2.89566
   R34        2.90902   0.00002   0.00186  -0.00064   0.00122   2.91024
   R35        2.86808   0.00049   0.00253   0.00062   0.00312   2.87120
   R36        2.89582   0.00014   0.00095  -0.00070   0.00025   2.89606
   R37        2.09363  -0.00007  -0.00024  -0.00040  -0.00065   2.09298
   R38        2.09567   0.00026   0.00073   0.00103   0.00176   2.09743
   R39        2.06996   0.00001  -0.00017  -0.00028  -0.00045   2.06951
   R40        2.07489   0.00000   0.00028  -0.00018   0.00010   2.07498
   R41        2.08105   0.00003  -0.00027   0.00014  -0.00013   2.08093
   R42        2.84022  -0.00025  -0.00017  -0.00093  -0.00112   2.83909
   R43        2.09905  -0.00002  -0.00056  -0.00038  -0.00095   2.09810
   R44        2.09891  -0.00010  -0.00026  -0.00058  -0.00084   2.09807
   R45        2.53289   0.00010   0.00023  -0.00044  -0.00021   2.53268
   R46        2.87412  -0.00077  -0.00772  -0.00060  -0.00832   2.86580
   R47        2.07273   0.00005  -0.00001   0.00033   0.00032   2.07305
   R48        2.06916  -0.00006   0.00024  -0.00025  -0.00001   2.06915
   R49        2.07811  -0.00009   0.00016  -0.00020  -0.00004   2.07807
   R50        2.07495  -0.00004  -0.00012   0.00032   0.00020   2.07515
   R51        2.07799   0.00014   0.00166   0.00113   0.00278   2.08077
   R52        2.07740  -0.00006   0.00077   0.00025   0.00102   2.07842
   R53        2.52021   0.00015   0.00081  -0.00063   0.00018   2.52040
   R54        2.06338  -0.00027   0.00020  -0.00090  -0.00070   2.06269
   R55        2.79552  -0.00039  -0.00030  -0.00054  -0.00081   2.79472
   R56        2.06233   0.00009   0.00016   0.00066   0.00082   2.06315
   R57        2.08736   0.00053  -0.00004   0.00443   0.00439   2.09175
   R58        2.10109  -0.00035  -0.00057  -0.00227  -0.00284   2.09824
   R59        2.81877  -0.00009   0.00014   0.00024   0.00040   2.81917
   R60        2.06269   0.00002   0.00056   0.00048   0.00103   2.06373
    A1        1.94589   0.00033  -0.00306   0.00258  -0.00048   1.94541
    A2        1.93913  -0.00049  -0.00218  -0.00090  -0.00308   1.93605
    A3        1.92198  -0.00045  -0.00544   0.00210  -0.00334   1.91864
    A4        1.74123  -0.00007  -0.00095   0.00209   0.00117   1.74240
    A5        1.89390   0.00001  -0.00052  -0.00159  -0.00211   1.89179
    A6        1.98799   0.00003   0.00043  -0.00073  -0.00031   1.98768
    A7        2.01108   0.00007  -0.00056  -0.00222  -0.00281   2.00826
    A8        1.90338   0.00013   0.00111   0.00168   0.00278   1.90616
    A9        1.92244  -0.00015   0.00037   0.00073   0.00110   1.92354
   A10        1.93648   0.00001   0.00246  -0.00093   0.00155   1.93803
   A11        1.81937  -0.00010  -0.00112  -0.00272  -0.00379   1.81559
   A12        1.88982  -0.00002   0.00320   0.00242   0.00560   1.89542
   A13        2.07625   0.00002   0.00202   0.00016   0.00210   2.07835
   A14        1.88623  -0.00006  -0.00589  -0.00229  -0.00817   1.87806
   A15        1.84708   0.00016  -0.00026   0.00391   0.00364   1.85072
   A16        1.89790  -0.00026   0.00121   0.00190   0.00315   1.90104
   A17        1.93509   0.00041  -0.00198   0.00065  -0.00137   1.93372
   A18        1.90802  -0.00005  -0.00052  -0.00069  -0.00121   1.90681
   A19        1.94674   0.00001   0.00105   0.00041   0.00146   1.94820
   A20        1.86909   0.00008   0.00023  -0.00044  -0.00020   1.86890
   A21        1.90555  -0.00021   0.00005  -0.00189  -0.00184   1.90371
   A22        1.88957  -0.00030  -0.00130  -0.00038  -0.00171   1.88786
   A23        1.80530   0.00008   0.00147  -0.00181  -0.00034   1.80496
   A24        1.82160   0.00056  -0.00288   0.00488   0.00200   1.82361
   A25        1.97613   0.00044  -0.00065   0.00274   0.00212   1.97825
   A26        1.95053   0.00000  -0.00102  -0.00521  -0.00621   1.94433
   A27        2.00390  -0.00075   0.00402   0.00029   0.00426   2.00817
   A28        1.96535   0.00026   0.00206   0.00152   0.00346   1.96881
   A29        1.89524   0.00003   0.00674   0.01051   0.01716   1.91240
   A30        1.82679  -0.00005  -0.01154  -0.00800  -0.01942   1.80736
   A31        1.81921   0.00013   0.00021   0.00075   0.00094   1.82015
   A32        1.99518  -0.00006   0.00517   0.00175   0.00694   2.00212
   A33        1.96337  -0.00031  -0.00204  -0.00577  -0.00783   1.95554
   A34        1.83429  -0.00019  -0.00097  -0.00073  -0.00159   1.83270
   A35        1.95541   0.00001   0.00130  -0.00246  -0.00117   1.95424
   A36        1.93980   0.00010  -0.00024   0.00242   0.00213   1.94193
   A37        1.93088   0.00003   0.00038   0.00074   0.00109   1.93197
   A38        1.94512   0.00024  -0.00054   0.00282   0.00226   1.94739
   A39        1.86021  -0.00017   0.00007  -0.00264  -0.00257   1.85764
   A40        1.95933  -0.00006   0.00187   0.00433   0.00621   1.96554
   A41        1.93166   0.00024   0.00196   0.00037   0.00232   1.93399
   A42        1.91951  -0.00009  -0.00109  -0.00151  -0.00262   1.91690
   A43        1.91430  -0.00033   0.00030  -0.00150  -0.00123   1.91307
   A44        1.87959   0.00023  -0.00095   0.00073  -0.00022   1.87937
   A45        1.85588   0.00001  -0.00240  -0.00282  -0.00521   1.85066
   A46        1.84925   0.00010   0.00072   0.00009   0.00089   1.85014
   A47        1.95890  -0.00016  -0.00089  -0.00155  -0.00244   1.95646
   A48        1.87450   0.00006  -0.00059   0.00244   0.00182   1.87632
   A49        1.97598  -0.00007  -0.00035  -0.00144  -0.00179   1.97420
   A50        1.89840   0.00005  -0.00008   0.00107   0.00096   1.89936
   A51        1.90313   0.00004   0.00112  -0.00032   0.00080   1.90393
   A52        1.94196  -0.00081   0.01204   0.00950   0.02158   1.96354
   A53        1.81562   0.00061  -0.00663  -0.00040  -0.00714   1.80848
   A54        1.88252   0.00012  -0.00491  -0.00637  -0.01137   1.87114
   A55        2.00214   0.00005  -0.00087   0.00088   0.00003   2.00217
   A56        1.90855   0.00019   0.00055  -0.00192  -0.00136   1.90718
   A57        1.90811  -0.00015  -0.00072  -0.00218  -0.00298   1.90514
   A58        1.88026   0.00011  -0.00150   0.00079  -0.00069   1.87958
   A59        1.97128  -0.00079   0.00433  -0.00242   0.00189   1.97317
   A60        1.91144   0.00039  -0.00113   0.00139   0.00024   1.91168
   A61        1.86980   0.00049  -0.00378  -0.00051  -0.00427   1.86553
   A62        1.96166  -0.00027  -0.00019   0.00091   0.00069   1.96235
   A63        1.87058   0.00005   0.00231  -0.00023   0.00210   1.87268
   A64        1.95549  -0.00032   0.00036   0.00041   0.00081   1.95630
   A65        1.91163   0.00014   0.00049   0.00138   0.00185   1.91349
   A66        1.92609   0.00016  -0.00066   0.00094   0.00028   1.92637
   A67        1.91214   0.00001   0.00003  -0.00072  -0.00071   1.91143
   A68        1.91181   0.00014   0.00050  -0.00014   0.00035   1.91216
   A69        1.84332  -0.00012  -0.00078  -0.00202  -0.00280   1.84052
   A70        1.97228  -0.00050  -0.00042  -0.00251  -0.00294   1.96935
   A71        1.95213   0.00008  -0.00026  -0.00012  -0.00039   1.95175
   A72        1.93801   0.00041   0.00125   0.00176   0.00300   1.94101
   A73        1.86179   0.00030  -0.00049   0.00327   0.00277   1.86456
   A74        1.88308   0.00009   0.00068   0.00217   0.00285   1.88594
   A75        1.85025  -0.00037  -0.00079  -0.00459  -0.00538   1.84486
   A76        1.93859   0.00030  -0.00109   0.00026  -0.00082   1.93777
   A77        1.92724  -0.00007   0.00064   0.00121   0.00184   1.92908
   A78        1.90950   0.00003   0.00139   0.00021   0.00160   1.91110
   A79        1.91363  -0.00012  -0.00059   0.00044  -0.00015   1.91348
   A80        1.93841  -0.00014   0.00065  -0.00001   0.00063   1.93904
   A81        1.83388  -0.00002  -0.00097  -0.00221  -0.00317   1.83071
   A82        2.01661  -0.00002  -0.00081   0.00007  -0.00073   2.01588
   A83        2.14098   0.00009  -0.00003  -0.00079  -0.00083   2.14015
   A84        2.12546  -0.00007   0.00078   0.00081   0.00159   2.12706
   A85        2.14779  -0.00015   0.00150  -0.00253  -0.00103   2.14676
   A86        2.09802   0.00103   0.00121   0.00935   0.01057   2.10860
   A87        2.03698  -0.00088  -0.00280  -0.00649  -0.00928   2.02770
   A88        1.94322   0.00001   0.00042   0.00027   0.00069   1.94390
   A89        1.94882  -0.00008   0.00052   0.00017   0.00069   1.94951
   A90        1.94277   0.00014   0.00057   0.00155   0.00212   1.94489
   A91        1.87846   0.00008  -0.00067   0.00021  -0.00045   1.87801
   A92        1.85953  -0.00017  -0.00099  -0.00298  -0.00396   1.85557
   A93        1.88721   0.00001   0.00003   0.00061   0.00063   1.88784
   A94        1.95329   0.00003   0.00021   0.00026   0.00045   1.95374
   A95        1.96373  -0.00039   0.00279  -0.00046   0.00232   1.96605
   A96        1.93275   0.00027  -0.00048   0.00153   0.00106   1.93381
   A97        1.86687  -0.00005   0.00222   0.00080   0.00300   1.86986
   A98        1.87742  -0.00001  -0.00166   0.00114  -0.00052   1.87690
   A99        1.86497   0.00015  -0.00333  -0.00338  -0.00670   1.85827
   A100       2.16273   0.00006  -0.00058  -0.00063  -0.00123   2.16150
   A101       2.00863   0.00021   0.00110   0.00065   0.00176   2.01040
   A102       2.11167  -0.00028  -0.00046  -0.00010  -0.00056   2.11112
   A103       2.14790   0.00010   0.00024   0.00092   0.00120   2.14910
   A104       2.14084  -0.00015   0.00014  -0.00085  -0.00074   2.14010
   A105       1.99439   0.00005  -0.00033  -0.00015  -0.00051   1.99387
   A106       1.93614   0.00051  -0.00120   0.00673   0.00554   1.94167
   A107       1.82527  -0.00024   0.00226  -0.00065   0.00162   1.82690
   A108       1.90405   0.00009   0.00563   0.00076   0.00640   1.91045
   A109       1.97997  -0.00043  -0.00246  -0.00866  -0.01115   1.96883
   A110       1.92694  -0.00038  -0.00281  -0.00048  -0.00334   1.92360
   A111       1.88756   0.00049  -0.00078   0.00248   0.00163   1.88919
   A112       2.13211  -0.00006  -0.00003   0.00086   0.00087   2.13298
   A113       2.14702   0.00007   0.00040   0.00059   0.00096   2.14798
   A114       2.00405  -0.00001  -0.00036  -0.00146  -0.00184   2.00221
   A115       2.14176   0.00009  -0.00049   0.00049  -0.00029   2.14147
   A116       2.12435  -0.00017   0.00019  -0.00068  -0.00078   2.12357
   A117       2.01707   0.00008   0.00028   0.00042   0.00052   2.01759
    D1        0.10567  -0.00057  -0.11479  -0.16398  -0.27884  -0.17317
    D2        2.11105  -0.00024  -0.10933  -0.15575  -0.26492   1.84612
    D3       -2.07167  -0.00061  -0.11456  -0.16157  -0.27622  -2.34790
    D4       -1.25738   0.00030   0.09563   0.08188   0.17755  -1.07983
    D5        2.86103   0.00031   0.09407   0.07570   0.16985   3.03088
    D6        0.83585   0.00013   0.10039   0.08114   0.18140   1.01725
    D7        0.54470  -0.00001  -0.02226   0.00032  -0.02192   0.52278
    D8        2.68551  -0.00040  -0.02449  -0.00679  -0.03129   2.65422
    D9       -1.58168   0.00008  -0.02171  -0.00392  -0.02565  -1.60733
   D10        3.04292   0.00006   0.00518   0.00062   0.00580   3.04872
   D11        0.78783   0.00010   0.00190   0.00292   0.00485   0.79268
   D12       -1.17301  -0.00002   0.00140  -0.00123   0.00019  -1.17282
   D13       -1.13000   0.00011   0.00388  -0.00150   0.00236  -1.12764
   D14        2.89810   0.00015   0.00059   0.00080   0.00140   2.89950
   D15        0.93726   0.00003   0.00009  -0.00335  -0.00326   0.93400
   D16        1.01803  -0.00006   0.00427  -0.00224   0.00200   1.02003
   D17       -1.23705  -0.00002   0.00098   0.00006   0.00105  -1.23601
   D18        3.08529  -0.00015   0.00048  -0.00410  -0.00361   3.08168
   D19        1.35489   0.00004   0.00924   0.01937   0.02857   1.38345
   D20       -0.69601  -0.00021   0.00006   0.00561   0.00564  -0.69037
   D21       -2.84643   0.00012  -0.00060   0.01125   0.01061  -2.83582
   D22       -0.66842   0.00004   0.01066   0.02092   0.03153  -0.63689
   D23       -2.71931  -0.00020   0.00149   0.00716   0.00860  -2.71071
   D24        1.41345   0.00012   0.00083   0.01279   0.01357   1.42703
   D25       -2.84032   0.00009   0.00968   0.02024   0.02990  -2.81041
   D26        1.39197  -0.00016   0.00051   0.00647   0.00698   1.39895
   D27       -0.75845   0.00017  -0.00015   0.01211   0.01195  -0.74650
   D28        0.96531  -0.00029  -0.00063  -0.00187  -0.00249   0.96282
   D29       -1.18002   0.00000  -0.00377  -0.00330  -0.00709  -1.18711
   D30        3.05769  -0.00010  -0.00134   0.00086  -0.00050   3.05719
   D31        2.89953  -0.00033  -0.00243  -0.00150  -0.00389   2.89563
   D32        0.75419  -0.00004  -0.00557  -0.00293  -0.00849   0.74570
   D33       -1.29129  -0.00014  -0.00314   0.00123  -0.00189  -1.29318
   D34       -1.22176  -0.00023  -0.00107  -0.00034  -0.00140  -1.22316
   D35        2.91609   0.00006  -0.00421  -0.00177  -0.00600   2.91010
   D36        0.87061  -0.00003  -0.00178   0.00239   0.00060   0.87121
   D37        1.05313  -0.00002  -0.00826  -0.02755  -0.03580   1.01733
   D38       -3.12868   0.00008  -0.00940  -0.02518  -0.03457   3.11994
   D39       -1.06560  -0.00007  -0.00975  -0.02987  -0.03962  -1.10522
   D40       -0.87457  -0.00003  -0.00802  -0.03070  -0.03873  -0.91330
   D41        1.22681   0.00007  -0.00916  -0.02833  -0.03751   1.18931
   D42       -2.99329  -0.00008  -0.00950  -0.03303  -0.04255  -3.03584
   D43       -3.09767  -0.00010  -0.00835  -0.02959  -0.03794  -3.13560
   D44       -0.99629  -0.00001  -0.00950  -0.02722  -0.03671  -1.03299
   D45        1.06679  -0.00016  -0.00984  -0.03192  -0.04175   1.02504
   D46        1.08223  -0.00013  -0.00327   0.00021  -0.00306   1.07918
   D47       -3.05458  -0.00002  -0.00243   0.00243   0.00000  -3.05457
   D48       -0.95290  -0.00005  -0.00395   0.00005  -0.00392  -0.95682
   D49       -3.09148  -0.00025  -0.00113  -0.00424  -0.00530  -3.09678
   D50       -0.94511  -0.00014  -0.00029  -0.00201  -0.00224  -0.94735
   D51        1.15657  -0.00017  -0.00181  -0.00440  -0.00616   1.15041
   D52       -0.98720  -0.00007  -0.00498  -0.00079  -0.00575  -0.99295
   D53        1.15918   0.00003  -0.00414   0.00143  -0.00269   1.15648
   D54       -3.02233   0.00001  -0.00566  -0.00095  -0.00661  -3.02895
   D55       -0.57818   0.00010  -0.00341  -0.00953  -0.01293  -0.59112
   D56        1.51956   0.00002  -0.00282  -0.01043  -0.01324   1.50632
   D57       -2.68460  -0.00012  -0.00205  -0.01379  -0.01584  -2.70044
   D58       -2.74593   0.00016  -0.00712  -0.00611  -0.01324  -2.75917
   D59       -0.64818   0.00008  -0.00653  -0.00702  -0.01355  -0.66173
   D60        1.43084  -0.00006  -0.00576  -0.01037  -0.01615   1.41469
   D61        1.41321   0.00010  -0.00044  -0.00640  -0.00682   1.40639
   D62       -2.77223   0.00002   0.00015  -0.00731  -0.00713  -2.77936
   D63       -0.69320  -0.00012   0.00092  -0.01066  -0.00973  -0.70293
   D64        1.10325   0.00005   0.00273   0.00568   0.00841   1.11165
   D65       -0.88767  -0.00010   0.00211   0.00661   0.00871  -0.87897
   D66        3.09992   0.00055  -0.00203   0.00851   0.00647   3.10639
   D67       -1.03611  -0.00030   0.00371   0.00329   0.00701  -1.02909
   D68       -3.02702  -0.00045   0.00309   0.00421   0.00731  -3.01972
   D69        0.96056   0.00021  -0.00106   0.00612   0.00508   0.96564
   D70       -3.12002  -0.00010   0.00290   0.00563   0.00854  -3.11148
   D71        1.17225  -0.00025   0.00227   0.00656   0.00884   1.18109
   D72       -1.12335   0.00041  -0.00187   0.00846   0.00660  -1.11674
   D73       -3.04941  -0.00005   0.00171  -0.00621  -0.00452  -3.05393
   D74        1.10815   0.00005   0.00110  -0.00653  -0.00545   1.10270
   D75       -0.91403   0.00002   0.00214  -0.00543  -0.00330  -0.91733
   D76       -0.93154  -0.00009   0.00260  -0.00305  -0.00045  -0.93199
   D77       -3.05715   0.00001   0.00199  -0.00337  -0.00139  -3.05854
   D78        1.20385  -0.00001   0.00303  -0.00227   0.00076   1.20461
   D79        1.13063  -0.00012   0.00356  -0.00454  -0.00098   1.12965
   D80       -0.99499  -0.00002   0.00294  -0.00486  -0.00192  -0.99690
   D81       -3.01717  -0.00005   0.00398  -0.00376   0.00024  -3.01693
   D82        2.96166  -0.00005   0.00182  -0.01997  -0.01816   2.94350
   D83       -1.26658   0.00019   0.00135  -0.01299  -0.01161  -1.27819
   D84        0.88393   0.00018   0.00019  -0.01672  -0.01656   0.86737
   D85       -1.28044  -0.00014   0.00083  -0.02018  -0.01937  -1.29981
   D86        0.77450   0.00009   0.00036  -0.01320  -0.01282   0.76168
   D87        2.92501   0.00008  -0.00080  -0.01693  -0.01777   2.90724
   D88        0.98850  -0.00042   0.00253  -0.02483  -0.02230   0.96620
   D89        3.04345  -0.00019   0.00207  -0.01785  -0.01576   3.02769
   D90       -1.08923  -0.00020   0.00091  -0.02159  -0.02070  -1.10993
   D91        1.09525   0.00004  -0.00607  -0.00558  -0.01164   1.08360
   D92       -3.12650   0.00025  -0.00914  -0.00712  -0.01625   3.14044
   D93       -1.04327   0.00007  -0.00420  -0.00802  -0.01220  -1.05547
   D94       -0.94298   0.00007  -0.00236  -0.00540  -0.00775  -0.95073
   D95        1.11847   0.00028  -0.00543  -0.00694  -0.01236   1.10611
   D96       -3.08149   0.00010  -0.00049  -0.00783  -0.00831  -3.08980
   D97        3.05879   0.00013  -0.00412  -0.00464  -0.00881   3.04998
   D98       -1.16295   0.00034  -0.00720  -0.00619  -0.01341  -1.17637
   D99        0.92028   0.00016  -0.00226  -0.00708  -0.00937   0.91091
   D100      -1.73800  -0.00012  -0.00764  -0.01952  -0.02726  -1.76526
   D101       0.42694  -0.00025  -0.00808  -0.02221  -0.03039   0.39655
   D102       2.51844  -0.00026  -0.00762  -0.02195  -0.02966   2.48878
   D103       0.36068   0.00026  -0.00193  -0.01221  -0.01410   0.34658
   D104       2.52562   0.00014  -0.00237  -0.01490  -0.01723   2.50839
   D105      -1.66606   0.00013  -0.00192  -0.01463  -0.01651  -1.68257
   D106       2.53167   0.00010   0.00338  -0.01295  -0.00955   2.52212
   D107      -1.58658  -0.00002   0.00293  -0.01564  -0.01267  -1.59925
   D108       0.50493  -0.00003   0.00339  -0.01538  -0.01195   0.49298
   D109      -2.72398   0.00020  -0.04152  -0.02104  -0.06266  -2.78664
   D110       0.38742   0.00021  -0.04156  -0.00828  -0.04998   0.33743
   D111       1.40091  -0.00005  -0.03909  -0.01829  -0.05734   1.34357
   D112      -1.77088  -0.00004  -0.03913  -0.00553  -0.04465  -1.81554
   D113      -0.66952   0.00004  -0.04158  -0.01625  -0.05772  -0.72724
   D114       2.44187   0.00005  -0.04163  -0.00349  -0.04504   2.39684
   D115       0.12896  -0.00009   0.00347   0.01403   0.01753   0.14649
   D116      -2.02526   0.00009   0.00424   0.01682   0.02108  -2.00418
   D117       2.13945   0.00005   0.00312   0.01742   0.02056   2.16001
   D118      -1.98495   0.00000   0.00227   0.01702   0.01930  -1.96565
   D119       2.14401   0.00018   0.00305   0.01980   0.02284   2.16686
   D120       0.02554   0.00015   0.00192   0.02040   0.02232   0.04786
   D121       2.23187   0.00004   0.00229   0.01803   0.02035   2.25221
   D122       0.07764   0.00022   0.00307   0.02082   0.02390   0.10154
   D123      -2.04083   0.00018   0.00194   0.02142   0.02337  -2.01746
   D124       1.31144  -0.00031   0.00786   0.02126   0.02907   1.34051
   D125      -0.81386   0.00024  -0.00202   0.00921   0.00717  -0.80669
   D126      -2.96461   0.00007  -0.00154   0.01280   0.01125  -2.95335
   D127      -2.81665  -0.00028   0.01189   0.02368   0.03554  -2.78111
   D128       1.34123   0.00027   0.00200   0.01163   0.01364   1.35487
   D129      -0.80952   0.00010   0.00249   0.01522   0.01772  -0.79180
   D130      -0.80401  -0.00032   0.00869   0.01996   0.02862  -0.77539
   D131      -2.92932   0.00024  -0.00119   0.00791   0.00672  -2.92260
   D132       1.20313   0.00007  -0.00071   0.01150   0.01080   1.21393
   D133       1.08124  -0.00003   0.01168   0.01451   0.02616   1.10740
   D134      -3.10182   0.00003   0.01147   0.01508   0.02653  -3.07529
   D135      -0.99083   0.00009   0.01227   0.01706   0.02931  -0.96152
   D136      -3.10931  -0.00007   0.01178   0.01247   0.02427  -3.08504
   D137      -1.00919  -0.00001   0.01158   0.01304   0.02464  -0.98455
   D138       1.10181   0.00005   0.01238   0.01501   0.02741   1.12922
   D139      -0.99351  -0.00003   0.01223   0.01264   0.02488  -0.96863
   D140       1.10662   0.00003   0.01203   0.01322   0.02525   1.13186
   D141      -3.06557   0.00009   0.01283   0.01519   0.02802  -3.03755
   D142       0.97052  -0.00032   0.00589   0.00191   0.00781   0.97832
   D143      -2.18845  -0.00033   0.00291   0.00705   0.00997  -2.17848
   D144      -1.15519   0.00028   0.00372   0.00464   0.00835  -1.14684
   D145       1.96903   0.00028   0.00073   0.00978   0.01051   1.97955
   D146       3.07780   0.00007   0.00335   0.00472   0.00807   3.08587
   D147      -0.08116   0.00006   0.00037   0.00986   0.01023  -0.07093
   D148      -0.87055   0.00013   0.02056   0.00936   0.02993  -0.84062
   D149       1.23216  -0.00018   0.02553   0.01026   0.03581   1.26797
   D150      -2.96520  -0.00006   0.02286   0.00670   0.02956  -2.93564
   D151       1.19700   0.00012   0.01881   0.00860   0.02742   1.22442
   D152      -2.98347  -0.00019   0.02378   0.00949   0.03329  -2.95018
   D153      -0.89765  -0.00008   0.02111   0.00593   0.02705  -0.87061
   D154      -2.97722   0.00010   0.01780   0.00927   0.02704  -2.95018
   D155      -0.87451  -0.00021   0.02277   0.01016   0.03292  -0.84159
   D156       1.21131  -0.00010   0.02010   0.00660   0.02667   1.23799
   D157       2.16676   0.00023  -0.00260  -0.00488  -0.00748   2.15928
   D158      -0.99304   0.00022   0.00061  -0.00981  -0.00919  -1.00223
   D159       0.07751   0.00001   0.00018  -0.00739  -0.00722   0.07029
   D160      -3.08229  -0.00001   0.00340  -0.01233  -0.00893  -3.09122
   D161      -1.97222  -0.00047   0.00344  -0.00714  -0.00371  -1.97593
   D162       1.15116  -0.00049   0.00666  -0.01208  -0.00542   1.14573
   D163       0.91542   0.00003  -0.00067  -0.00340  -0.00406   0.91136
   D164      -1.21149   0.00003   0.00038  -0.00496  -0.00458  -1.21606
   D165       3.06151   0.00007   0.00038  -0.00309  -0.00271   3.05881
   D166       3.04075   0.00000   0.00021  -0.00187  -0.00166   3.03909
   D167       0.91384   0.00000   0.00125  -0.00343  -0.00217   0.91166
   D168      -1.09635   0.00004   0.00126  -0.00156  -0.00030  -1.09665
   D169      -1.22807  -0.00006  -0.00044  -0.00478  -0.00522  -1.23330
   D170       2.92820  -0.00006   0.00061  -0.00635  -0.00574   2.92246
   D171       0.91802  -0.00002   0.00061  -0.00448  -0.00387   0.91415
   D172      -0.96991   0.00017  -0.00392   0.00441   0.00049  -0.96942
   D173       2.18889   0.00018  -0.00097  -0.00066  -0.00163   2.18726
   D174       1.16491   0.00020  -0.00425   0.00641   0.00216   1.16708
   D175      -1.95948   0.00021  -0.00130   0.00133   0.00004  -1.95943
   D176      -3.09926   0.00002  -0.00539   0.00397  -0.00142  -3.10069
   D177       0.05953   0.00002  -0.00244  -0.00110  -0.00354   0.05599
   D178       0.02319   0.00000  -0.00444   0.00578   0.00134   0.02453
   D179      -3.13061   0.00001  -0.00015  -0.00327  -0.00342  -3.13402
   D180      -3.13684   0.00000  -0.00761   0.01123   0.00362  -3.13322
   D181      -0.00745   0.00000  -0.00332   0.00217  -0.00114  -0.00859
   D182      -0.27212  -0.00025  -0.01335   0.01427   0.00094  -0.27118
   D183      -2.32052   0.00000  -0.01379   0.01615   0.00241  -2.31811
   D184       1.84083  -0.00006  -0.00891   0.01938   0.01045   1.85129
   D185       2.89876  -0.00023  -0.01333   0.00210  -0.01125   2.88752
   D186       0.85036   0.00001  -0.01376   0.00398  -0.00977   0.84058
   D187      -1.27148  -0.00004  -0.00889   0.00721  -0.00173  -1.27320
   D188      -0.01519  -0.00014   0.00327  -0.01057  -0.00730  -0.02248
   D189       3.12943  -0.00006   0.00126  -0.00481  -0.00355   3.12588
   D190      -3.13754  -0.00013  -0.00015  -0.00536  -0.00551   3.14013
   D191       0.00708  -0.00004  -0.00217   0.00040  -0.00177   0.00531
   D192      -3.10202   0.00014  -0.00336   0.02816   0.02480  -3.07722
   D193       0.04458  -0.00011   0.00748  -0.02320  -0.01572   0.02886
   D194       0.05084   0.00014  -0.00733   0.03653   0.02920   0.08004
   D195      -3.08574  -0.00011   0.00351  -0.01483  -0.01132  -3.09706
   D196       3.09764  -0.00006   0.00390  -0.02526  -0.02136   3.07628
   D197      -0.04891   0.00018  -0.00683   0.02554   0.01871  -0.03020
   D198      -0.04675  -0.00014   0.00577  -0.03058  -0.02481  -0.07156
   D199       3.08989   0.00010  -0.00496   0.02022   0.01526   3.10515
         Item               Value     Threshold  Converged?
 Maximum Force            0.001312     0.000450     NO 
 RMS     Force            0.000257     0.000300     YES
 Maximum Displacement     0.325755     0.001800     NO 
 RMS     Displacement     0.030741     0.001200     NO 
 Predicted change in Energy=-3.770217D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C22H29FO5
 Framework group  C1[X(C22H29FO5)]
 Deg. of freedom   165
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          9           0        1.533600    0.008855   -1.380100
      2          8           0       -3.027400    0.297095   -1.794747
      3          8           0        0.348283   -2.214200    1.197969
      4          8           0       -4.749851   -0.307311    1.156848
      5          8           0       -5.720213   -2.295650   -0.369721
      6          8           0        6.466053   -0.170661   -1.466689
      7          6           0       -1.640597   -0.145981    0.244170
      8          6           0       -0.745834    1.107702   -0.000211
      9          6           0        0.641210    0.924977    0.627557
     10          6           0        1.344003   -0.289352   -0.045954
     11          6           0       -2.994397    0.369158   -0.359758
     12          6           0       -1.622808    2.285865    0.454873
     13          6           0       -1.012920   -1.339979   -0.490409
     14          6           0       -3.074526    1.869676    0.093309
     15          6           0        0.452795   -1.580967   -0.084526
     16          6           0        2.796213   -0.498676    0.520602
     17          6           0        1.474748    2.208348    0.491674
     18          6           0       -1.844348   -0.482442    1.720904
     19          6           0        2.908757    2.020506    0.998613
     20          6           0        3.553871    0.823478    0.359777
     21          6           0       -4.231430   -0.427836    0.068449
     22          6           0       -3.701846    2.755710   -0.970991
     23          6           0        2.814077   -0.844862    2.021115
     24          6           0        3.468280   -1.645345   -0.215582
     25          6           0        4.722850    0.911935   -0.289759
     26          6           0       -4.804529   -1.379501   -0.963883
     27          6           0        4.631616   -1.535008   -0.858489
     28          6           0        5.377448   -0.245387   -0.937259
     29          1           0       -0.603699    1.235976   -1.106067
     30          1           0        0.525270    0.677094    1.713668
     31          1           0       -1.530012    2.475109    1.535694
     32          1           0       -1.330489    3.222033   -0.052427
     33          1           0       -1.077470   -1.204609   -1.589892
     34          1           0       -1.583812   -2.266788   -0.260866
     35          1           0       -3.703152    1.908830    1.019713
     36          1           0        0.909386   -2.323262   -0.783391
     37          1           0        0.988185    3.029387    1.053666
     38          1           0        1.495569    2.545428   -0.565610
     39          1           0       -2.296500    0.339711    2.285665
     40          1           0       -2.495992   -1.356060    1.854437
     41          1           0       -0.890777   -0.745145    2.204933
     42          1           0        2.919377    1.905170    2.102824
     43          1           0        3.494951    2.942751    0.802412
     44          1           0       -4.744200    2.472911   -1.163238
     45          1           0       -3.693840    3.810183   -0.676139
     46          1           0       -3.174729    2.664365   -1.931757
     47          1           0        2.180600   -0.165285    2.606571
     48          1           0        2.465053   -1.869269    2.224062
     49          1           0        3.834706   -0.777317    2.425383
     50          1           0       -2.140431    0.084646   -2.165241
     51          1           0        2.939129   -2.599033   -0.171913
     52          1           0        1.236951   -2.511724    1.519175
     53          1           0        5.266039    1.852738   -0.398376
     54          1           0       -4.032550   -2.019191   -1.433012
     55          1           0       -5.319053   -0.810360   -1.766507
     56          1           0        5.110507   -2.371577   -1.371759
     57          1           0       -6.162187   -1.872711    0.414276
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.4237785      0.1022544      0.0946319
 Standard basis: VSTO-6G (5D, 7F)
 There are   141 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   141 basis functions,   846 primitive gaussians,   141 cartesian basis functions
    77 alpha electrons       77 beta electrons
       nuclear repulsion energy      1659.2197099259 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   141 RedAO= F  NBF=   141
 NBsUse=   141 1.00D-04 NBFU=   141
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=982442.
 SCF Done:  E(RPM6) = -0.414686278898     A.U. after   14 cycles
             Convg  =    0.9814D-08             -V/T =  0.9987
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        9          -0.000497926    0.000320764   -0.000479510
      2        8           0.000940661    0.001719680   -0.000217233
      3        8           0.002572321   -0.000958472   -0.001456537
      4        8           0.000434987   -0.000404837    0.001759950
      5        8          -0.000788542   -0.000636573   -0.000655978
      6        8          -0.000171092   -0.000196397    0.001502993
      7        6           0.000046305    0.000603235    0.000565811
      8        6           0.000468276   -0.000219902    0.000125554
      9        6          -0.000123727    0.000035786   -0.000316515
     10        6          -0.000751587    0.000196478   -0.000725331
     11        6           0.000201608   -0.002147610    0.001348014
     12        6           0.000858774   -0.001016696    0.001219551
     13        6          -0.000133950    0.000460513    0.000836781
     14        6          -0.000449129    0.000217213   -0.000939656
     15        6          -0.000468249   -0.000691321    0.000898240
     16        6           0.000775448    0.000122605    0.000029534
     17        6           0.000484545   -0.000291857    0.000209667
     18        6           0.000416664    0.000007174   -0.000435728
     19        6          -0.000076717    0.000296695    0.000099852
     20        6          -0.000156598    0.000576898    0.000370187
     21        6          -0.001049470    0.000630251   -0.003548240
     22        6          -0.000060567   -0.000249761    0.000601673
     23        6          -0.000003694    0.000603441    0.000035660
     24        6          -0.000060449   -0.000789211   -0.000470318
     25        6          -0.000439055   -0.000318509    0.001301876
     26        6           0.000087276    0.000788372    0.000707198
     27        6          -0.000480399   -0.000130651    0.001442667
     28        6           0.001071711    0.000665260   -0.003799142
     29        1          -0.000441396    0.000231629    0.000344623
     30        1           0.000136757   -0.000108432   -0.000316764
     31        1           0.000164144   -0.000122147   -0.000481438
     32        1          -0.000160091    0.000579763   -0.000765188
     33        1           0.000087541    0.000065817   -0.000153378
     34        1          -0.000120874    0.000213722   -0.000127435
     35        1           0.000115635   -0.000239982    0.000240155
     36        1           0.000571022    0.000301939    0.000682073
     37        1          -0.000091712   -0.000030036   -0.000107355
     38        1           0.000096254   -0.000013626   -0.000184656
     39        1          -0.000057672   -0.000054248   -0.000011037
     40        1          -0.000017327    0.000175133   -0.000129196
     41        1          -0.000078669    0.000169749    0.000076266
     42        1          -0.000037706   -0.000075069   -0.000264145
     43        1           0.000025419   -0.000113050    0.000223515
     44        1          -0.000071250    0.000108397   -0.000009259
     45        1           0.000027099    0.000013518   -0.000017381
     46        1          -0.000169307   -0.000229689   -0.000203238
     47        1          -0.000053007    0.000102227   -0.000004244
     48        1          -0.000551062   -0.000220839    0.000411460
     49        1          -0.000142875    0.000049397    0.000128749
     50        1          -0.000195007   -0.001417184    0.000023653
     51        1           0.000130869   -0.000028200   -0.000148176
     52        1          -0.001256173    0.000213171    0.000177872
     53        1          -0.000009059    0.000004035   -0.000223028
     54        1           0.000098812    0.000341787    0.000162757
     55        1          -0.000658603    0.000214756    0.000231236
     56        1          -0.000156287   -0.000060760   -0.000185475
     57        1           0.000167103    0.000735656    0.000618013
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.003799142 RMS     0.000706552

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.002452783 RMS     0.000384976
 Search for a local minimum.
 Step number  13 out of a maximum of  342
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   12   13
 DE= -3.21D-04 DEPred=-3.77D-04 R= 8.51D-01
 SS=  1.41D+00  RLast= 6.27D-01 DXNew= 3.7243D+00 1.8816D+00
 Trust test= 8.51D-01 RLast= 6.27D-01 DXMaxT set to 2.21D+00
     Eigenvalues ---    0.00054   0.00226   0.00243   0.00261   0.00289
     Eigenvalues ---    0.00426   0.00445   0.00520   0.00596   0.00638
     Eigenvalues ---    0.00709   0.00756   0.01227   0.01326   0.01390
     Eigenvalues ---    0.01428   0.01488   0.01538   0.01646   0.01727
     Eigenvalues ---    0.01775   0.02100   0.02205   0.02308   0.02435
     Eigenvalues ---    0.02607   0.03079   0.03347   0.03719   0.03784
     Eigenvalues ---    0.03952   0.04079   0.04257   0.04415   0.04544
     Eigenvalues ---    0.04648   0.04824   0.04846   0.04967   0.04988
     Eigenvalues ---    0.05038   0.05133   0.05191   0.05334   0.05339
     Eigenvalues ---    0.05385   0.05410   0.05504   0.05533   0.05581
     Eigenvalues ---    0.05809   0.05930   0.06122   0.06244   0.06642
     Eigenvalues ---    0.06846   0.06997   0.07108   0.07144   0.07327
     Eigenvalues ---    0.07636   0.08052   0.08128   0.08287   0.08299
     Eigenvalues ---    0.08339   0.08987   0.09180   0.09276   0.10605
     Eigenvalues ---    0.11238   0.11833   0.11932   0.12919   0.13542
     Eigenvalues ---    0.13802   0.14494   0.15011   0.15033   0.15679
     Eigenvalues ---    0.15894   0.15993   0.15997   0.15998   0.15999
     Eigenvalues ---    0.16000   0.16002   0.16006   0.16025   0.16029
     Eigenvalues ---    0.16091   0.16129   0.16516   0.16946   0.17577
     Eigenvalues ---    0.17605   0.18539   0.19210   0.19844   0.20992
     Eigenvalues ---    0.21217   0.22407   0.22908   0.23496   0.23946
     Eigenvalues ---    0.24933   0.24975   0.25106   0.26108   0.26438
     Eigenvalues ---    0.26618   0.27321   0.27762   0.27858   0.28193
     Eigenvalues ---    0.28481   0.28675   0.29202   0.29441   0.29643
     Eigenvalues ---    0.30461   0.31017   0.32188   0.32502   0.33230
     Eigenvalues ---    0.33487   0.33762   0.33878   0.33919   0.33993
     Eigenvalues ---    0.34008   0.34050   0.34078   0.34106   0.34112
     Eigenvalues ---    0.34216   0.34230   0.34254   0.34270   0.34287
     Eigenvalues ---    0.34293   0.34344   0.34349   0.34385   0.34459
     Eigenvalues ---    0.34590   0.34820   0.34992   0.35094   0.35359
     Eigenvalues ---    0.35447   0.35571   0.37732   0.42183   0.43231
     Eigenvalues ---    0.44196   0.48120   0.52217   0.52598   0.53492
     Eigenvalues ---    0.54099   0.57889   0.60429   0.89185   0.92474
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    13   12   11   10    9
 RFO step:  Lambda=-1.13443556D-04.
 DIIS coeffs:      0.75189      0.86982      0.19009     -1.05664      0.24484
 Iteration  1 RMS(Cart)=  0.02306530 RMS(Int)=  0.00980248
 Iteration  2 RMS(Cart)=  0.00975793 RMS(Int)=  0.00052398
 Iteration  3 RMS(Cart)=  0.00054083 RMS(Int)=  0.00003173
 Iteration  4 RMS(Cart)=  0.00000108 RMS(Int)=  0.00003172
 Iteration  5 RMS(Cart)=  0.00000000 RMS(Int)=  0.00003172
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.60811  -0.00060   0.00071  -0.00078  -0.00007   2.60804
    R2        2.71587  -0.00016   0.00118  -0.00339  -0.00222   2.71366
    R3        1.86031  -0.00047  -0.00064  -0.00119  -0.00183   1.85848
    R4        2.71009   0.00077  -0.00181   0.00111  -0.00070   2.70939
    R5        1.87209  -0.00113   0.00298   0.00377   0.00675   1.87884
    R6        2.28953  -0.00169   0.00103  -0.00071   0.00032   2.28986
    R7        2.69300   0.00047  -0.00059  -0.00086  -0.00144   2.69155
    R8        1.87918  -0.00088   0.00075  -0.00284  -0.00209   1.87709
    R9        2.29191   0.00049  -0.00024   0.00061   0.00036   2.29227
   R10        2.94703   0.00040  -0.00033   0.00190   0.00161   2.94864
   R11        2.96565   0.00061   0.00043  -0.00427  -0.00383   2.96181
   R12        2.90257   0.00052  -0.00159   0.00126  -0.00031   2.90226
   R13        2.88792   0.00050   0.00008  -0.00064  -0.00056   2.88737
   R14        2.89774   0.00046  -0.00020   0.00025   0.00006   2.89780
   R15        2.90567   0.00023   0.00023  -0.00007   0.00013   2.90580
   R16        2.12085   0.00026  -0.00048  -0.00113  -0.00161   2.11924
   R17        2.94102  -0.00033   0.00036   0.00137   0.00172   2.94274
   R18        2.90323   0.00038  -0.00093   0.00155   0.00062   2.90386
   R19        2.11660   0.00028  -0.00084  -0.00024  -0.00108   2.11552
   R20        2.96633  -0.00146   0.00126  -0.00080   0.00046   2.96679
   R21        2.97217  -0.00040  -0.00184   0.00363   0.00179   2.97396
   R22        2.96587   0.00076  -0.00003  -0.00168  -0.00170   2.96418
   R23        2.89616   0.00245  -0.00351   0.00507   0.00156   2.89772
   R24        2.93451   0.00103  -0.00101   0.00054  -0.00049   2.93402
   R25        2.08093   0.00051  -0.00082   0.00107   0.00026   2.08118
   R26        2.08660  -0.00090   0.00100   0.00098   0.00198   2.08858
   R27        2.90989   0.00026  -0.00029   0.00071   0.00041   2.91031
   R28        2.09696  -0.00016  -0.00067  -0.00024  -0.00090   2.09606
   R29        2.10226   0.00027  -0.00028   0.00101   0.00073   2.10299
   R30        2.87296   0.00058  -0.00013  -0.00062  -0.00076   2.87220
   R31        2.11694  -0.00025   0.00052  -0.00163  -0.00111   2.11583
   R32        2.11099   0.00085  -0.00075   0.00270   0.00195   2.11294
   R33        2.89566  -0.00032   0.00143  -0.00097   0.00047   2.89613
   R34        2.91024  -0.00047   0.00066   0.00026   0.00092   2.91116
   R35        2.87120  -0.00078   0.00067   0.00102   0.00170   2.87290
   R36        2.89606  -0.00003   0.00017   0.00015   0.00032   2.89638
   R37        2.09298   0.00011  -0.00021  -0.00019  -0.00040   2.09258
   R38        2.09743  -0.00017   0.00003   0.00073   0.00076   2.09820
   R39        2.06951   0.00007  -0.00016  -0.00012  -0.00028   2.06923
   R40        2.07498   0.00017   0.00003   0.00063   0.00067   2.07565
   R41        2.08093  -0.00007  -0.00025  -0.00063  -0.00088   2.08004
   R42        2.83909   0.00011   0.00078  -0.00157  -0.00080   2.83830
   R43        2.09810   0.00026  -0.00050   0.00000  -0.00050   2.09760
   R44        2.09807   0.00015  -0.00024  -0.00033  -0.00057   2.09750
   R45        2.53268   0.00000  -0.00006   0.00005   0.00000   2.53268
   R46        2.86580   0.00205  -0.00365   0.00003  -0.00363   2.86217
   R47        2.07305   0.00010  -0.00003   0.00030   0.00027   2.07332
   R48        2.06915  -0.00001   0.00021  -0.00004   0.00017   2.06932
   R49        2.07807  -0.00029   0.00012  -0.00108  -0.00096   2.07711
   R50        2.07515  -0.00003  -0.00001  -0.00006  -0.00008   2.07508
   R51        2.08077  -0.00013   0.00084   0.00171   0.00255   2.08332
   R52        2.07842  -0.00019   0.00069   0.00026   0.00095   2.07937
   R53        2.52040  -0.00015   0.00019   0.00026   0.00045   2.52085
   R54        2.06269  -0.00007   0.00042  -0.00066  -0.00024   2.06244
   R55        2.79472  -0.00014   0.00050  -0.00117  -0.00068   2.79404
   R56        2.06315  -0.00004  -0.00003   0.00033   0.00030   2.06345
   R57        2.09175   0.00033   0.00000   0.00319   0.00319   2.09494
   R58        2.09824   0.00038  -0.00065  -0.00077  -0.00142   2.09682
   R59        2.81917  -0.00022   0.00014  -0.00075  -0.00063   2.81855
   R60        2.06373  -0.00020   0.00034   0.00002   0.00036   2.06408
    A1        1.94541   0.00010  -0.00290  -0.00025  -0.00315   1.94226
    A2        1.93605   0.00086  -0.00132   0.00378   0.00246   1.93852
    A3        1.91864   0.00078  -0.00207   0.00071  -0.00136   1.91728
    A4        1.74240  -0.00013   0.00124  -0.00148  -0.00025   1.74215
    A5        1.89179   0.00020  -0.00177   0.00131  -0.00047   1.89132
    A6        1.98768  -0.00012  -0.00020  -0.00037  -0.00056   1.98712
    A7        2.00826   0.00005  -0.00048  -0.00188  -0.00237   2.00589
    A8        1.90616   0.00025   0.00037   0.00401   0.00438   1.91055
    A9        1.92354  -0.00024   0.00081  -0.00161  -0.00081   1.92273
   A10        1.93803  -0.00027  -0.00052   0.00224   0.00172   1.93974
   A11        1.81559   0.00035   0.00121  -0.00354  -0.00231   1.81328
   A12        1.89542  -0.00024   0.00202   0.00050   0.00251   1.89793
   A13        2.07835  -0.00023   0.00164  -0.00091   0.00071   2.07907
   A14        1.87806   0.00044  -0.00317  -0.00135  -0.00450   1.87356
   A15        1.85072  -0.00008  -0.00090   0.00325   0.00233   1.85306
   A16        1.90104  -0.00037   0.00047   0.00009   0.00054   1.90159
   A17        1.93372   0.00057  -0.00052  -0.00085  -0.00137   1.93235
   A18        1.90681  -0.00001  -0.00103   0.00156   0.00053   1.90734
   A19        1.94820  -0.00015   0.00048  -0.00024   0.00025   1.94845
   A20        1.86890   0.00016  -0.00010   0.00218   0.00209   1.87099
   A21        1.90371  -0.00021   0.00068  -0.00259  -0.00192   1.90179
   A22        1.88786  -0.00030   0.00090  -0.00500  -0.00412   1.88374
   A23        1.80496  -0.00002   0.00236  -0.00514  -0.00278   1.80218
   A24        1.82361   0.00048  -0.00225   0.00344   0.00119   1.82480
   A25        1.97825   0.00066  -0.00138   0.00442   0.00306   1.98131
   A26        1.94433   0.00028   0.00016  -0.00254  -0.00238   1.94195
   A27        2.00817  -0.00111   0.00038   0.00380   0.00416   2.01233
   A28        1.96881  -0.00044  -0.00120  -0.00096  -0.00232   1.96649
   A29        1.91240   0.00007   0.00549   0.01266   0.01810   1.93051
   A30        1.80736   0.00043  -0.00811  -0.00893  -0.01693   1.79043
   A31        1.82015   0.00014   0.00005   0.00009   0.00012   1.82027
   A32        2.00212  -0.00018   0.00358   0.00282   0.00639   2.00850
   A33        1.95554  -0.00004   0.00069  -0.00487  -0.00414   1.95140
   A34        1.83270  -0.00010   0.00017  -0.00151  -0.00131   1.83139
   A35        1.95424  -0.00009   0.00159  -0.00360  -0.00202   1.95222
   A36        1.94193   0.00013  -0.00152   0.00404   0.00252   1.94444
   A37        1.93197   0.00009   0.00007  -0.00006   0.00000   1.93197
   A38        1.94739   0.00011  -0.00161   0.00503   0.00342   1.95080
   A39        1.85764  -0.00013   0.00123  -0.00369  -0.00246   1.85518
   A40        1.96554  -0.00048   0.00015   0.00281   0.00296   1.96850
   A41        1.93399   0.00025   0.00058   0.00325   0.00383   1.93782
   A42        1.91690   0.00008   0.00002  -0.00227  -0.00227   1.91463
   A43        1.91307  -0.00003   0.00124  -0.00202  -0.00082   1.91225
   A44        1.87937   0.00026  -0.00038   0.00048   0.00010   1.87947
   A45        1.85066  -0.00006  -0.00171  -0.00268  -0.00438   1.84628
   A46        1.85014  -0.00017   0.00109  -0.00073   0.00039   1.85053
   A47        1.95646   0.00016   0.00106  -0.00236  -0.00132   1.95514
   A48        1.87632   0.00008  -0.00153   0.00382   0.00229   1.87861
   A49        1.97420   0.00002   0.00038  -0.00109  -0.00069   1.97350
   A50        1.89936   0.00008  -0.00136   0.00129  -0.00011   1.89925
   A51        1.90393  -0.00017   0.00019  -0.00057  -0.00037   1.90357
   A52        1.96354  -0.00160   0.00729   0.00981   0.01714   1.98068
   A53        1.80848   0.00111  -0.00335  -0.00209  -0.00558   1.80290
   A54        1.87114   0.00036  -0.00364  -0.00396  -0.00770   1.86344
   A55        2.00217   0.00029  -0.00122   0.00127   0.00005   2.00222
   A56        1.90718   0.00018   0.00007  -0.00131  -0.00121   1.90597
   A57        1.90514  -0.00029   0.00058  -0.00432  -0.00381   1.90132
   A58        1.87958   0.00006  -0.00055   0.00062   0.00007   1.87965
   A59        1.97317  -0.00088   0.00192  -0.00047   0.00145   1.97462
   A60        1.91168   0.00033  -0.00263   0.00194  -0.00071   1.91097
   A61        1.86553   0.00077  -0.00040  -0.00130  -0.00170   1.86383
   A62        1.96235  -0.00025   0.00048  -0.00120  -0.00071   1.96164
   A63        1.87268  -0.00005   0.00130   0.00028   0.00157   1.87425
   A64        1.95630  -0.00031  -0.00078   0.00116   0.00039   1.95669
   A65        1.91349   0.00003   0.00019   0.00070   0.00088   1.91437
   A66        1.92637   0.00019  -0.00041   0.00100   0.00059   1.92696
   A67        1.91143   0.00011   0.00012  -0.00065  -0.00054   1.91089
   A68        1.91216   0.00003   0.00053  -0.00059  -0.00007   1.91209
   A69        1.84052  -0.00003   0.00043  -0.00179  -0.00136   1.83915
   A70        1.96935  -0.00001   0.00115  -0.00279  -0.00164   1.96771
   A71        1.95175   0.00013  -0.00048  -0.00017  -0.00065   1.95110
   A72        1.94101  -0.00004  -0.00063   0.00264   0.00200   1.94301
   A73        1.86456  -0.00003  -0.00115   0.00197   0.00082   1.86538
   A74        1.88594   0.00008   0.00009   0.00316   0.00325   1.88918
   A75        1.84486  -0.00013   0.00102  -0.00486  -0.00384   1.84102
   A76        1.93777   0.00023  -0.00136   0.00117  -0.00019   1.93758
   A77        1.92908  -0.00017  -0.00055   0.00164   0.00108   1.93016
   A78        1.91110  -0.00006   0.00107  -0.00063   0.00044   1.91154
   A79        1.91348   0.00002   0.00018   0.00040   0.00058   1.91407
   A80        1.93904  -0.00011   0.00097  -0.00136  -0.00039   1.93865
   A81        1.83071   0.00008  -0.00024  -0.00134  -0.00158   1.82913
   A82        2.01588  -0.00003   0.00002  -0.00058  -0.00056   2.01532
   A83        2.14015   0.00023  -0.00054   0.00075   0.00021   2.14036
   A84        2.12706  -0.00020   0.00055  -0.00022   0.00032   2.12738
   A85        2.14676  -0.00073   0.00030  -0.00330  -0.00302   2.14373
   A86        2.10860  -0.00032   0.00136   0.00510   0.00644   2.11504
   A87        2.02770   0.00104  -0.00156  -0.00193  -0.00352   2.02418
   A88        1.94390  -0.00013   0.00021  -0.00059  -0.00038   1.94352
   A89        1.94951  -0.00008   0.00031  -0.00038  -0.00008   1.94943
   A90        1.94489   0.00026   0.00019   0.00243   0.00261   1.94750
   A91        1.87801   0.00008  -0.00100   0.00055  -0.00045   1.87755
   A92        1.85557  -0.00002   0.00038  -0.00213  -0.00175   1.85381
   A93        1.88784  -0.00011  -0.00013   0.00001  -0.00012   1.88772
   A94        1.95374   0.00011   0.00038   0.00024   0.00062   1.95436
   A95        1.96605  -0.00065   0.00128  -0.00023   0.00104   1.96709
   A96        1.93381   0.00011  -0.00059   0.00185   0.00127   1.93508
   A97        1.86986   0.00004   0.00261   0.00041   0.00299   1.87285
   A98        1.87690   0.00003  -0.00110   0.00023  -0.00087   1.87604
   A99        1.85827   0.00040  -0.00272  -0.00266  -0.00538   1.85289
   A100       2.16150   0.00034  -0.00068   0.00072   0.00005   2.16155
   A101       2.01040  -0.00016   0.00013   0.00166   0.00178   2.01218
   A102       2.11112  -0.00018   0.00062  -0.00240  -0.00179   2.10933
   A103       2.14910  -0.00015  -0.00015   0.00008  -0.00009   2.14901
   A104       2.14010  -0.00004   0.00052  -0.00117  -0.00064   2.13946
   A105       1.99387   0.00020  -0.00032   0.00112   0.00080   1.99468
   A106       1.94167   0.00037  -0.00070   0.00483   0.00412   1.94580
   A107       1.82690  -0.00018   0.00187   0.00100   0.00287   1.82977
   A108       1.91045  -0.00069   0.00336  -0.00243   0.00091   1.91136
   A109       1.96883   0.00009  -0.00260  -0.00449  -0.00711   1.96172
   A110       1.92360   0.00035   0.00073  -0.00062   0.00005   1.92365
   A111       1.88919   0.00000  -0.00237   0.00172  -0.00072   1.88847
   A112       2.13298  -0.00008   0.00010  -0.00051  -0.00042   2.13255
   A113       2.14798  -0.00010   0.00005  -0.00009  -0.00005   2.14794
   A114       2.00221   0.00018  -0.00013   0.00062   0.00049   2.00269
   A115       2.14147   0.00015  -0.00051   0.00035  -0.00006   2.14141
   A116       2.12357   0.00000   0.00045  -0.00039   0.00016   2.12373
   A117       2.01759  -0.00012   0.00020   0.00019   0.00045   2.01804
    D1       -0.17317  -0.00082  -0.06865  -0.24143  -0.31003  -0.48320
    D2        1.84612  -0.00087  -0.06600  -0.23381  -0.29963   1.54649
    D3       -2.34790  -0.00064  -0.06670  -0.23829  -0.30522  -2.65312
    D4       -1.07983  -0.00001   0.06811   0.09413   0.16229  -0.91754
    D5        3.03088  -0.00018   0.06762   0.08830   0.15602  -3.09629
    D6        1.01725  -0.00051   0.07031   0.09577   0.16594   1.18319
    D7        0.52278   0.00004   0.00387  -0.01878  -0.01489   0.50789
    D8        2.65422   0.00024   0.00151  -0.02090  -0.01940   2.63482
    D9       -1.60733  -0.00018   0.00122  -0.01952  -0.01831  -1.62564
   D10        3.04872  -0.00023  -0.00129   0.00558   0.00430   3.05302
   D11        0.79268  -0.00002  -0.00385   0.00778   0.00394   0.79661
   D12       -1.17282   0.00001  -0.00422   0.00556   0.00135  -1.17147
   D13       -1.12764  -0.00016  -0.00194   0.00326   0.00132  -1.12632
   D14        2.89950   0.00004  -0.00449   0.00545   0.00096   2.90046
   D15        0.93400   0.00007  -0.00486   0.00323  -0.00163   0.93237
   D16        1.02003  -0.00040  -0.00236   0.00191  -0.00045   1.01958
   D17       -1.23601  -0.00019  -0.00491   0.00410  -0.00081  -1.23682
   D18        3.08168  -0.00016  -0.00528   0.00188  -0.00340   3.07828
   D19        1.38345   0.00006   0.00928   0.01031   0.01954   1.40299
   D20       -0.69037   0.00011   0.00335  -0.00448  -0.00115  -0.69151
   D21       -2.83582   0.00018   0.00032  -0.00014   0.00012  -2.83570
   D22       -0.63689  -0.00012   0.01083   0.01045   0.02123  -0.61566
   D23       -2.71071  -0.00007   0.00490  -0.00435   0.00054  -2.71016
   D24        1.42703   0.00000   0.00187   0.00000   0.00181   1.42884
   D25       -2.81041  -0.00004   0.00981   0.01075   0.02053  -2.78988
   D26        1.39895   0.00001   0.00388  -0.00405  -0.00015   1.39879
   D27       -0.74650   0.00008   0.00085   0.00030   0.00111  -0.74539
   D28        0.96282  -0.00024   0.00408  -0.00623  -0.00214   0.96068
   D29       -1.18711  -0.00004   0.00197  -0.00807  -0.00611  -1.19322
   D30        3.05719  -0.00017   0.00371  -0.00534  -0.00164   3.05555
   D31        2.89563  -0.00025   0.00421  -0.00823  -0.00400   2.89164
   D32        0.74570  -0.00005   0.00210  -0.01007  -0.00797   0.73773
   D33       -1.29318  -0.00018   0.00384  -0.00734  -0.00350  -1.29668
   D34       -1.22316  -0.00007   0.00500  -0.00559  -0.00058  -1.22374
   D35        2.91010   0.00013   0.00289  -0.00742  -0.00455   2.90555
   D36        0.87121   0.00000   0.00463  -0.00470  -0.00008   0.87113
   D37        1.01733  -0.00003  -0.00067  -0.02842  -0.02909   0.98824
   D38        3.11994   0.00001  -0.00168  -0.02798  -0.02966   3.09028
   D39       -1.10522  -0.00009  -0.00113  -0.03247  -0.03360  -1.13881
   D40       -0.91330   0.00004  -0.00229  -0.02884  -0.03113  -0.94443
   D41        1.18931   0.00008  -0.00331  -0.02839  -0.03170   1.15761
   D42       -3.03584  -0.00002  -0.00275  -0.03289  -0.03564  -3.07149
   D43       -3.13560  -0.00003  -0.00251  -0.02819  -0.03070   3.11688
   D44       -1.03299   0.00001  -0.00353  -0.02774  -0.03127  -1.06426
   D45        1.02504  -0.00009  -0.00297  -0.03224  -0.03521   0.98983
   D46        1.07918  -0.00014   0.00100  -0.00430  -0.00330   1.07588
   D47       -3.05457  -0.00021   0.00158  -0.00511  -0.00353  -3.05810
   D48       -0.95682  -0.00013   0.00143  -0.00784  -0.00642  -0.96323
   D49       -3.09678  -0.00007   0.00348  -0.00795  -0.00444  -3.10122
   D50       -0.94735  -0.00014   0.00407  -0.00876  -0.00467  -0.95201
   D51        1.15041  -0.00005   0.00391  -0.01149  -0.00755   1.14285
   D52       -0.99295   0.00003   0.00078  -0.00536  -0.00457  -0.99752
   D53        1.15648  -0.00004   0.00137  -0.00616  -0.00479   1.15169
   D54       -3.02895   0.00005   0.00121  -0.00889  -0.00768  -3.03663
   D55       -0.59112   0.00001   0.00320  -0.00810  -0.00488  -0.59600
   D56        1.50632   0.00001   0.00427  -0.01107  -0.00679   1.49952
   D57       -2.70044  -0.00013   0.00585  -0.01542  -0.00956  -2.71000
   D58       -2.75917   0.00023   0.00175  -0.00747  -0.00571  -2.76488
   D59       -0.66173   0.00022   0.00283  -0.01045  -0.00762  -0.66935
   D60        1.41469   0.00009   0.00441  -0.01479  -0.01039   1.40431
   D61        1.40639  -0.00014   0.00560  -0.00775  -0.00213   1.40426
   D62       -2.77936  -0.00014   0.00667  -0.01072  -0.00404  -2.78340
   D63       -0.70293  -0.00028   0.00825  -0.01507  -0.00681  -0.70974
   D64        1.11165   0.00001   0.00245  -0.00060   0.00185   1.11350
   D65       -0.87897  -0.00015  -0.00022   0.00633   0.00611  -0.87286
   D66        3.10639   0.00057   0.00035  -0.00072  -0.00037   3.10602
   D67       -1.02909  -0.00035   0.00247   0.00057   0.00304  -1.02606
   D68       -3.01972  -0.00051  -0.00021   0.00750   0.00730  -3.01241
   D69        0.96564   0.00020   0.00036   0.00045   0.00082   0.96646
   D70       -3.11148  -0.00011   0.00142   0.00250   0.00392  -3.10755
   D71        1.18109  -0.00027  -0.00125   0.00943   0.00819   1.18928
   D72       -1.11674   0.00045  -0.00068   0.00238   0.00171  -1.11503
   D73       -3.05393   0.00011  -0.00208   0.00204  -0.00003  -3.05396
   D74        1.10270   0.00016  -0.00184   0.00161  -0.00022   1.10248
   D75       -0.91733   0.00007  -0.00223   0.00280   0.00058  -0.91675
   D76       -0.93199  -0.00007  -0.00151   0.00139  -0.00012  -0.93211
   D77       -3.05854  -0.00002  -0.00127   0.00096  -0.00031  -3.05885
   D78        1.20461  -0.00011  -0.00166   0.00215   0.00049   1.20510
   D79        1.12965  -0.00010  -0.00090   0.00229   0.00139   1.13104
   D80       -0.99690  -0.00005  -0.00066   0.00186   0.00120  -0.99570
   D81       -3.01693  -0.00014  -0.00106   0.00306   0.00200  -3.01493
   D82        2.94350  -0.00030  -0.00060  -0.00753  -0.00814   2.93536
   D83       -1.27819   0.00018  -0.00055  -0.00208  -0.00260  -1.28080
   D84        0.86737   0.00014  -0.00061  -0.00786  -0.00850   0.85887
   D85       -1.29981  -0.00034   0.00122  -0.01445  -0.01326  -1.31307
   D86        0.76168   0.00013   0.00127  -0.00900  -0.00772   0.75396
   D87        2.90724   0.00009   0.00121  -0.01479  -0.01362   2.89362
   D88        0.96620  -0.00035   0.00049  -0.01025  -0.00977   0.95643
   D89        3.02769   0.00012   0.00054  -0.00481  -0.00423   3.02346
   D90       -1.10993   0.00008   0.00048  -0.01059  -0.01013  -1.12007
   D91        1.08360   0.00004   0.00062  -0.00826  -0.00763   1.07597
   D92        3.14044   0.00051   0.00090  -0.00974  -0.00883   3.13161
   D93       -1.05547   0.00010   0.00198  -0.00836  -0.00638  -1.06185
   D94       -0.95073  -0.00002   0.00079  -0.00309  -0.00230  -0.95303
   D95        1.10611   0.00045   0.00107  -0.00457  -0.00350   1.10261
   D96       -3.08980   0.00005   0.00215  -0.00318  -0.00105  -3.09085
   D97        3.04998  -0.00021   0.00225  -0.01051  -0.00826   3.04172
   D98       -1.17637   0.00026   0.00253  -0.01199  -0.00946  -1.18583
   D99        0.91091  -0.00015   0.00361  -0.01061  -0.00701   0.90390
   D100      -1.76526   0.00039  -0.00258  -0.00617  -0.00888  -1.77414
   D101       0.39655   0.00040  -0.00070  -0.00949  -0.01028   0.38627
   D102       2.48878   0.00034  -0.00083  -0.00911  -0.01004   2.47874
   D103       0.34658  -0.00001  -0.00139  -0.00078  -0.00216   0.34442
   D104       2.50839   0.00000   0.00049  -0.00410  -0.00356   2.50483
   D105      -1.68257  -0.00006   0.00036  -0.00372  -0.00332  -1.68588
   D106       2.52212  -0.00016   0.00347  -0.00012   0.00332   2.52544
   D107      -1.59925  -0.00015   0.00535  -0.00344   0.00192  -1.59733
   D108       0.49298  -0.00021   0.00522  -0.00306   0.00216   0.49514
   D109      -2.78664   0.00012  -0.02434  -0.00625  -0.03070  -2.81734
   D110       0.33743  -0.00013  -0.02132  -0.01485  -0.03630   0.30113
   D111       1.34357   0.00047  -0.01923  -0.00038  -0.01957   1.32400
   D112      -1.81554   0.00021  -0.01621  -0.00898  -0.02518  -1.84071
   D113      -0.72724   0.00045  -0.02240   0.00112  -0.02118  -0.74842
   D114       2.39684   0.00019  -0.01938  -0.00749  -0.02678   2.37006
   D115       0.14649  -0.00006  -0.00123   0.00628   0.00504   0.15154
   D116      -2.00418  -0.00016  -0.00357   0.01042   0.00685  -1.99733
   D117       2.16001  -0.00002  -0.00310   0.01095   0.00785   2.16785
   D118      -1.96565   0.00006  -0.00329   0.01154   0.00825  -1.95740
   D119       2.16686  -0.00004  -0.00563   0.01568   0.01005   2.17691
   D120       0.04786   0.00010  -0.00515   0.01621   0.01105   0.05891
   D121       2.25221   0.00009  -0.00384   0.01296   0.00914   2.26135
   D122       0.10154  -0.00001  -0.00617   0.01711   0.01094   0.11248
   D123      -2.01746   0.00014  -0.00570   0.01764   0.01194  -2.00552
   D124       1.34051  -0.00063   0.00192   0.02083   0.02270   1.36321
   D125      -0.80669   0.00041  -0.00411   0.00933   0.00521  -0.80148
   D126      -2.95335   0.00020  -0.00377   0.01349   0.00970  -2.94365
   D127      -2.78111  -0.00067   0.00366   0.02554   0.02916  -2.75195
   D128       1.35487   0.00038  -0.00238   0.01403   0.01167   1.36654
   D129      -0.79180   0.00016  -0.00204   0.01820   0.01617  -0.77563
   D130      -0.77539  -0.00061   0.00206   0.02159   0.02362  -0.75178
   D131      -2.92260   0.00043  -0.00397   0.01009   0.00613  -2.91647
   D132       1.21393   0.00022  -0.00363   0.01425   0.01062   1.22455
   D133       1.10740   0.00006   0.00536   0.01269   0.01803   1.12544
   D134      -3.07529   0.00002   0.00444   0.01272   0.01714  -3.05815
   D135      -0.96152   0.00000   0.00462   0.01417   0.01877  -0.94275
   D136      -3.08504  -0.00003   0.00783   0.00926   0.01710  -3.06794
   D137      -0.98455  -0.00007   0.00691   0.00928   0.01621  -0.96834
   D138       1.12922  -0.00009   0.00709   0.01073   0.01784   1.14706
   D139      -0.96863  -0.00003   0.00648   0.00977   0.01624  -0.95238
   D140       1.13186  -0.00007   0.00557   0.00979   0.01535   1.14722
   D141      -3.03755  -0.00009   0.00574   0.01124   0.01698  -3.02057
   D142       0.97832  -0.00040   0.00078   0.00225   0.00304   0.98136
   D143      -2.17848  -0.00041   0.00251  -0.00139   0.00112  -2.17735
   D144      -1.14684   0.00018  -0.00097   0.00320   0.00223  -1.14460
   D145       1.97955   0.00017   0.00076  -0.00044   0.00032   1.97986
   D146       3.08587  -0.00010  -0.00257   0.00434   0.00177   3.08764
   D147      -0.07093  -0.00011  -0.00084   0.00069  -0.00015  -0.07108
   D148      -0.84062   0.00000   0.01329  -0.00407   0.00921  -0.83140
   D149       1.26797  -0.00034   0.01783  -0.00353   0.01431   1.28228
   D150      -2.93564  -0.00020   0.01482  -0.00580   0.00903  -2.92661
   D151       1.22442   0.00005   0.01346  -0.00442   0.00903   1.23345
   D152      -2.95018  -0.00029   0.01800  -0.00388   0.01413  -2.93606
   D153      -0.87061  -0.00014   0.01500  -0.00615   0.00885  -0.86176
   D154      -2.95018   0.00016   0.01452  -0.00639   0.00812  -2.94205
   D155      -0.84159  -0.00018   0.01906  -0.00585   0.01322  -0.82838
   D156       1.23799  -0.00004   0.01606  -0.00811   0.00794   1.24593
   D157       2.15928   0.00027  -0.00057   0.00000  -0.00057   2.15871
   D158      -1.00223   0.00032   0.00319  -0.00150   0.00170  -1.00053
   D159       0.07029   0.00013   0.00160  -0.00132   0.00027   0.07057
   D160      -3.09122   0.00018   0.00536  -0.00282   0.00255  -3.08868
   D161      -1.97593  -0.00064   0.00101   0.00076   0.00176  -1.97417
   D162       1.14573  -0.00059   0.00477  -0.00074   0.00403   1.14977
   D163       0.91136   0.00006   0.00207  -0.00260  -0.00052   0.91084
   D164      -1.21606   0.00000   0.00314  -0.00503  -0.00188  -1.21794
   D165       3.05881   0.00004   0.00313  -0.00397  -0.00084   3.05797
   D166       3.03909  -0.00003   0.00187  -0.00140   0.00048   3.03957
   D167       0.91166  -0.00009   0.00295  -0.00383  -0.00088   0.91079
   D168      -1.09665  -0.00005   0.00293  -0.00277   0.00016  -1.09649
   D169      -1.23330   0.00001   0.00275  -0.00425  -0.00150  -1.23479
   D170       2.92246  -0.00005   0.00382  -0.00667  -0.00285   2.91961
   D171       0.91415  -0.00001   0.00380  -0.00562  -0.00181   0.91234
   D172      -0.96942   0.00013  -0.00201   0.00126  -0.00075  -0.97017
   D173       2.18726   0.00013  -0.00371   0.00486   0.00115   2.18841
   D174       1.16708   0.00007  -0.00349   0.00437   0.00089   1.16796
   D175      -1.95943   0.00008  -0.00519   0.00798   0.00279  -1.95664
   D176      -3.10069   0.00012  -0.00311   0.00220  -0.00092  -3.10160
   D177       0.05599   0.00012  -0.00481   0.00580   0.00099   0.05698
   D178       0.02453  -0.00030  -0.00743  -0.00053  -0.00795   0.01658
   D179      -3.13402  -0.00003  -0.00274   0.00133  -0.00140  -3.13543
   D180      -3.13322  -0.00031  -0.00561  -0.00440  -0.01000   3.13996
   D181      -0.00859  -0.00003  -0.00092  -0.00254  -0.00345  -0.01205
   D182      -0.27118   0.00002   0.02225  -0.00847   0.01378  -0.25740
   D183      -2.31811  -0.00006   0.02204  -0.01004   0.01204  -2.30608
   D184       1.85129  -0.00036   0.02649  -0.00873   0.01775   1.86904
   D185       2.88752   0.00027   0.01938   0.00002   0.01938   2.90690
   D186       0.84058   0.00020   0.01917  -0.00155   0.01764   0.85822
   D187      -1.27320  -0.00011   0.02362  -0.00024   0.02335  -1.24985
   D188      -0.02248   0.00025   0.00580   0.00176   0.00756  -0.01493
   D189       3.12588   0.00008   0.00263  -0.00090   0.00173   3.12761
   D190       3.14013   0.00020   0.00183   0.00329   0.00512  -3.13793
   D191       0.00531   0.00003  -0.00134   0.00063  -0.00070   0.00461
   D192      -3.07722  -0.00059  -0.01227  -0.00359  -0.01586  -3.09308
   D193       0.02886   0.00067   0.01410   0.00088   0.01498   0.04384
   D194       0.08004  -0.00084  -0.01661  -0.00529  -0.02190   0.05814
   D195      -3.09706   0.00042   0.00976  -0.00083   0.00894  -3.08812
   D196       3.07628   0.00060   0.01284   0.00296   0.01580   3.09209
   D197      -0.03020  -0.00065  -0.01322  -0.00146  -0.01469  -0.04488
   D198      -0.07156   0.00076   0.01577   0.00541   0.02118  -0.05038
   D199       3.10515  -0.00049  -0.01030   0.00099  -0.00931   3.09584
         Item               Value     Threshold  Converged?
 Maximum Force            0.002453     0.000450     NO 
 RMS     Force            0.000385     0.000300     NO 
 Maximum Displacement     0.421816     0.001800     NO 
 RMS     Displacement     0.029116     0.001200     NO 
 Predicted change in Energy=-3.320546D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C22H29FO5
 Framework group  C1[X(C22H29FO5)]
 Deg. of freedom   165
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          9           0        1.530960    0.004844   -1.375988
      2          8           0       -3.029402    0.258800   -1.783880
      3          8           0        0.349269   -2.244174    1.188795
      4          8           0       -4.743098   -0.315697    1.166623
      5          8           0       -5.763085   -2.257375   -0.401356
      6          8           0        6.461500   -0.172988   -1.484420
      7          6           0       -1.639131   -0.150175    0.254146
      8          6           0       -0.744882    1.104146    0.005746
      9          6           0        0.644603    0.924940    0.629189
     10          6           0        1.346444   -0.292901   -0.041067
     11          6           0       -2.991022    0.361132   -0.352040
     12          6           0       -1.623812    2.280445    0.462115
     13          6           0       -1.011582   -1.344752   -0.479259
     14          6           0       -3.073597    1.861889    0.096665
     15          6           0        0.456273   -1.585507   -0.080197
     16          6           0        2.801355   -0.495145    0.523762
     17          6           0        1.475793    2.209070    0.482774
     18          6           0       -1.837819   -0.484555    1.731738
     19          6           0        2.912476    2.026690    0.984619
     20          6           0        3.556419    0.827180    0.350265
     21          6           0       -4.234174   -0.429675    0.072860
     22          6           0       -3.696176    2.743296   -0.973672
     23          6           0        2.826025   -0.827644    2.027771
     24          6           0        3.473744   -1.646240   -0.207062
     25          6           0        4.722969    0.912872   -0.303990
     26          6           0       -4.821995   -1.354000   -0.973126
     27          6           0        4.634936   -1.538077   -0.854695
     28          6           0        5.381972   -0.249731   -0.936571
     29          1           0       -0.601690    1.231511   -1.099214
     30          1           0        0.533572    0.685490    1.717114
     31          1           0       -1.532914    2.464472    1.544135
     32          1           0       -1.330277    3.221230   -0.038172
     33          1           0       -1.081515   -1.218046   -1.578962
     34          1           0       -1.582059   -2.270945   -0.244379
     35          1           0       -3.705717    1.905663    1.019770
     36          1           0        0.908827   -2.322413   -0.788970
     37          1           0        0.991043    3.032938    1.041770
     38          1           0        1.491533    2.541378   -0.576532
     39          1           0       -2.261332    0.349318    2.301206
     40          1           0       -2.513009   -1.339970    1.868982
     41          1           0       -0.889558   -0.779574    2.206430
     42          1           0        2.929435    1.919385    2.089294
     43          1           0        3.496563    2.948131    0.780236
     44          1           0       -4.742988    2.470507   -1.156764
     45          1           0       -3.674767    3.800768   -0.690115
     46          1           0       -3.178105    2.636446   -1.937175
     47          1           0        2.186735   -0.149942    2.608990
     48          1           0        2.493009   -1.856600    2.241638
     49          1           0        3.846735   -0.746078    2.430611
     50          1           0       -2.126641    0.314386   -2.170065
     51          1           0        2.947019   -2.600859   -0.157946
     52          1           0        1.247483   -2.419359    1.577429
     53          1           0        5.263021    1.854503   -0.422262
     54          1           0       -4.055181   -2.002434   -1.442714
     55          1           0       -5.314021   -0.763675   -1.773513
     56          1           0        5.113078   -2.377075   -1.365090
     57          1           0       -6.191308   -1.840830    0.392232
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.4245963      0.1020005      0.0945006
 Standard basis: VSTO-6G (5D, 7F)
 There are   141 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   141 basis functions,   846 primitive gaussians,   141 cartesian basis functions
    77 alpha electrons       77 beta electrons
       nuclear repulsion energy      1658.7892437415 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   141 RedAO= F  NBF=   141
 NBsUse=   141 1.00D-04 NBFU=   141
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=982442.
 SCF Done:  E(RPM6) = -0.415136820937     A.U. after   14 cycles
             Convg  =    0.7821D-08             -V/T =  0.9987
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        9          -0.000098304    0.000478113   -0.000500287
      2        8           0.002592259    0.002031341    0.000600384
      3        8           0.004651195   -0.001926605   -0.002436267
      4        8           0.000589301   -0.000087056    0.002082854
      5        8          -0.000851891   -0.000505528   -0.000680949
      6        8           0.000168435   -0.000030420    0.000214336
      7        6           0.001842372    0.001612985    0.001629550
      8        6           0.000566538   -0.000128730   -0.000342529
      9        6          -0.000171715    0.000138517   -0.000640244
     10        6          -0.001048583    0.000041112   -0.001225159
     11        6          -0.002114763   -0.002148561    0.000108683
     12        6           0.001322447   -0.001562797    0.001389452
     13        6          -0.000367417    0.000213888    0.001685957
     14        6           0.000226784   -0.000491226   -0.000643525
     15        6          -0.001036074   -0.000519313    0.001225243
     16        6           0.001007994    0.000602572    0.000300680
     17        6           0.000670527   -0.000384505    0.000366168
     18        6          -0.000058073   -0.000181340   -0.000547333
     19        6          -0.000371906    0.000147078    0.000396270
     20        6          -0.000096065    0.000929884    0.000355872
     21        6          -0.000912357   -0.000160406   -0.004302588
     22        6          -0.000164977   -0.000288732    0.001049586
     23        6          -0.000045922    0.000811404    0.000130718
     24        6          -0.000103907   -0.001187358   -0.000428053
     25        6           0.000018469   -0.000401042   -0.000206082
     26        6           0.000704833    0.001565682    0.000768116
     27        6          -0.000069218    0.000018585   -0.000141652
     28        6          -0.000101953    0.000295295   -0.000058529
     29        1          -0.000737333    0.000449732    0.000798580
     30        1           0.000078377    0.000024486   -0.000357038
     31        1           0.000105228   -0.000181847   -0.000527389
     32        1          -0.000440199    0.001212079   -0.000908413
     33        1          -0.000064752    0.000107916   -0.000702454
     34        1          -0.000002745    0.000181590   -0.000061932
     35        1           0.000031807   -0.000215384   -0.000032890
     36        1           0.000873397    0.000140093    0.000371696
     37        1          -0.000208585   -0.000022066   -0.000210814
     38        1           0.000151462    0.000123453   -0.000380576
     39        1          -0.000051078    0.000090884   -0.000151174
     40        1          -0.000118547    0.000066980   -0.000092926
     41        1           0.000024935   -0.000008371    0.000154751
     42        1          -0.000126924    0.000000783   -0.000358206
     43        1           0.000058776   -0.000318083    0.000324784
     44        1          -0.000207855    0.000061977   -0.000084989
     45        1          -0.000038579   -0.000057049   -0.000001864
     46        1          -0.000195844   -0.000656409   -0.000268198
     47        1           0.000026545    0.000004551   -0.000009678
     48        1          -0.000526882   -0.000432961    0.000554215
     49        1          -0.000231953    0.000005350    0.000342862
     50        1          -0.000584120   -0.001868211   -0.000238325
     51        1          -0.000270763   -0.000006369   -0.000215056
     52        1          -0.002588594    0.001120942    0.000910066
     53        1          -0.000037035    0.000074473   -0.000103843
     54        1          -0.000223590    0.000410689    0.000302445
     55        1          -0.000922364    0.000161504    0.000621806
     56        1          -0.000269002   -0.000149022   -0.000110458
     57        1          -0.000251811    0.000795454    0.000284348
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.004651195 RMS     0.000895432

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.003008052 RMS     0.000527113
 Search for a local minimum.
 Step number  14 out of a maximum of  342
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   13   14
 DE= -4.51D-04 DEPred=-3.32D-04 R= 1.36D+00
 SS=  1.41D+00  RLast= 6.24D-01 DXNew= 3.7243D+00 1.8706D+00
 Trust test= 1.36D+00 RLast= 6.24D-01 DXMaxT set to 2.21D+00
     Eigenvalues ---    0.00016   0.00225   0.00242   0.00269   0.00284
     Eigenvalues ---    0.00427   0.00449   0.00519   0.00600   0.00622
     Eigenvalues ---    0.00703   0.00717   0.01218   0.01301   0.01390
     Eigenvalues ---    0.01425   0.01471   0.01581   0.01640   0.01717
     Eigenvalues ---    0.01765   0.02099   0.02229   0.02306   0.02481
     Eigenvalues ---    0.03052   0.03267   0.03581   0.03762   0.03857
     Eigenvalues ---    0.03954   0.04098   0.04265   0.04431   0.04554
     Eigenvalues ---    0.04678   0.04814   0.04832   0.04972   0.04999
     Eigenvalues ---    0.05039   0.05143   0.05174   0.05324   0.05335
     Eigenvalues ---    0.05383   0.05402   0.05492   0.05533   0.05593
     Eigenvalues ---    0.05789   0.05917   0.06094   0.06259   0.06631
     Eigenvalues ---    0.06888   0.07010   0.07104   0.07140   0.07349
     Eigenvalues ---    0.07718   0.08046   0.08233   0.08295   0.08361
     Eigenvalues ---    0.08414   0.09095   0.09232   0.10056   0.10639
     Eigenvalues ---    0.11237   0.11876   0.12057   0.12999   0.13637
     Eigenvalues ---    0.13796   0.14529   0.14996   0.15074   0.15663
     Eigenvalues ---    0.15890   0.15992   0.15996   0.15999   0.16000
     Eigenvalues ---    0.16000   0.16001   0.16004   0.16025   0.16036
     Eigenvalues ---    0.16100   0.16175   0.16536   0.17274   0.17573
     Eigenvalues ---    0.17813   0.18407   0.19259   0.19869   0.21160
     Eigenvalues ---    0.21772   0.22399   0.22926   0.23334   0.24241
     Eigenvalues ---    0.24852   0.24972   0.25385   0.26114   0.26453
     Eigenvalues ---    0.26597   0.27420   0.27744   0.27878   0.28187
     Eigenvalues ---    0.28464   0.28781   0.29205   0.29423   0.29813
     Eigenvalues ---    0.30460   0.31056   0.32226   0.32647   0.33230
     Eigenvalues ---    0.33530   0.33769   0.33875   0.33923   0.33995
     Eigenvalues ---    0.34019   0.34077   0.34093   0.34101   0.34113
     Eigenvalues ---    0.34218   0.34234   0.34255   0.34267   0.34283
     Eigenvalues ---    0.34294   0.34349   0.34364   0.34397   0.34458
     Eigenvalues ---    0.34634   0.34904   0.35064   0.35144   0.35393
     Eigenvalues ---    0.35560   0.35716   0.38282   0.41479   0.42494
     Eigenvalues ---    0.44124   0.48111   0.52147   0.52697   0.53492
     Eigenvalues ---    0.54293   0.57550   0.59479   0.89006   0.92256
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    14   13   12   11   10
 RFO step:  Lambda=-2.29098704D-04.
 DIIS coeffs:      0.59883     -0.24293      1.91896      0.63074     -1.90561
 EnCoef did   100 forward-backward iterations
 Matrix for removal  4 Erem=-0.414686278898444     Crem= 0.000D+00
 En-DIIS coeffs:      0.77267      0.00000      0.00272      0.00013      0.22448
 Point #    5 is marked for removal
 Maximum step size (   2.214) exceeded in Quadratic search.
    -- Step size scaled by   0.492
 Iteration  1 RMS(Cart)=  0.05175646 RMS(Int)=  0.08777441
 Iteration  2 RMS(Cart)=  0.02568767 RMS(Int)=  0.06602829
 Iteration  3 RMS(Cart)=  0.02115165 RMS(Int)=  0.04726026
 Iteration  4 RMS(Cart)=  0.01799399 RMS(Int)=  0.02940993
 Iteration  5 RMS(Cart)=  0.01801322 RMS(Int)=  0.01162665
 Iteration  6 RMS(Cart)=  0.01167057 RMS(Int)=  0.00075022
 Iteration  7 RMS(Cart)=  0.00075649 RMS(Int)=  0.00011142
 Iteration  8 RMS(Cart)=  0.00000198 RMS(Int)=  0.00011141
 Iteration  9 RMS(Cart)=  0.00000000 RMS(Int)=  0.00011141
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.60804  -0.00058  -0.00021   0.00017  -0.00004   2.60799
    R2        2.71366   0.00037   0.00023  -0.00911  -0.00888   2.70478
    R3        1.85848  -0.00052   0.00039  -0.00741  -0.00702   1.85146
    R4        2.70939   0.00088   0.00054  -0.00238  -0.00184   2.70755
    R5        1.87884  -0.00256  -0.00253   0.02133   0.01881   1.89765
    R6        2.28986  -0.00210  -0.00041   0.00023  -0.00019   2.28967
    R7        2.69155   0.00107   0.00059  -0.00520  -0.00461   2.68695
    R8        1.87709  -0.00046   0.00032  -0.00759  -0.00726   1.86982
    R9        2.29227   0.00025   0.00004   0.00104   0.00108   2.29335
   R10        2.94864   0.00011  -0.00023   0.00566   0.00546   2.95410
   R11        2.96181   0.00113   0.00123  -0.01182  -0.01062   2.95119
   R12        2.90226   0.00032   0.00044  -0.00221  -0.00169   2.90057
   R13        2.88737   0.00064   0.00038   0.00048   0.00085   2.88822
   R14        2.89780   0.00042   0.00019   0.00002   0.00020   2.89800
   R15        2.90580   0.00044   0.00006   0.00260   0.00260   2.90840
   R16        2.11924   0.00065   0.00060  -0.00469  -0.00409   2.11515
   R17        2.94274  -0.00050  -0.00061   0.00543   0.00475   2.94748
   R18        2.90386   0.00032   0.00011   0.00207   0.00219   2.90604
   R19        2.11552   0.00034   0.00040  -0.00394  -0.00354   2.11198
   R20        2.96679  -0.00179  -0.00051   0.00042  -0.00008   2.96671
   R21        2.97396  -0.00097   0.00004   0.00198   0.00202   2.97599
   R22        2.96418   0.00163   0.00030  -0.00185  -0.00152   2.96266
   R23        2.89772   0.00290   0.00060   0.00633   0.00693   2.90466
   R24        2.93402   0.00115   0.00076  -0.00187  -0.00111   2.93291
   R25        2.08118   0.00056   0.00023   0.00149   0.00172   2.08291
   R26        2.08858  -0.00157  -0.00112   0.00496   0.00384   2.09241
   R27        2.91031   0.00052   0.00007   0.00154   0.00164   2.91195
   R28        2.09606  -0.00070   0.00025  -0.00588  -0.00563   2.09043
   R29        2.10299   0.00017  -0.00008   0.00220   0.00212   2.10511
   R30        2.87220   0.00126   0.00036   0.00125   0.00161   2.87381
   R31        2.11583   0.00002   0.00009  -0.00325  -0.00316   2.11267
   R32        2.11294   0.00069  -0.00006   0.00683   0.00677   2.11971
   R33        2.89613  -0.00042  -0.00053   0.00079   0.00020   2.89634
   R34        2.91116  -0.00094  -0.00037   0.00272   0.00235   2.91352
   R35        2.87290  -0.00157  -0.00074   0.00326   0.00247   2.87537
   R36        2.89638  -0.00027  -0.00012   0.00113   0.00100   2.89738
   R37        2.09258   0.00021   0.00016  -0.00121  -0.00104   2.09154
   R38        2.09820  -0.00040  -0.00033   0.00207   0.00174   2.09994
   R39        2.06923   0.00002   0.00013  -0.00120  -0.00107   2.06816
   R40        2.07565   0.00014  -0.00010   0.00259   0.00249   2.07814
   R41        2.08004  -0.00005   0.00017  -0.00317  -0.00300   2.07704
   R42        2.83830   0.00034   0.00015  -0.00105  -0.00090   2.83740
   R43        2.09760   0.00036   0.00027  -0.00152  -0.00124   2.09636
   R44        2.09750   0.00037   0.00023  -0.00120  -0.00097   2.09652
   R45        2.53268  -0.00006   0.00005   0.00007   0.00011   2.53279
   R46        2.86217   0.00301   0.00214  -0.01311  -0.01097   2.85120
   R47        2.07332   0.00020  -0.00007   0.00157   0.00150   2.07483
   R48        2.06932   0.00006  -0.00006   0.00098   0.00092   2.07025
   R49        2.07711  -0.00041   0.00011  -0.00423  -0.00412   2.07299
   R50        2.07508  -0.00001  -0.00002  -0.00027  -0.00029   2.07479
   R51        2.08332  -0.00038  -0.00085   0.00910   0.00825   2.09157
   R52        2.07937  -0.00034  -0.00039   0.00290   0.00251   2.08188
   R53        2.52085  -0.00037  -0.00011   0.00140   0.00129   2.52214
   R54        2.06244   0.00014   0.00004  -0.00012  -0.00008   2.06236
   R55        2.79404   0.00013   0.00008  -0.00138  -0.00125   2.79279
   R56        2.06345  -0.00010  -0.00014   0.00097   0.00083   2.06428
   R57        2.09494   0.00020  -0.00101   0.01135   0.01035   2.10529
   R58        2.09682   0.00080   0.00067  -0.00392  -0.00325   2.09357
   R59        2.81855  -0.00014  -0.00001  -0.00169  -0.00165   2.81690
   R60        2.06408  -0.00029  -0.00025   0.00105   0.00080   2.06488
    A1        1.94226  -0.00056   0.00094  -0.02178  -0.02084   1.92142
    A2        1.93852   0.00155   0.00023   0.01368   0.01390   1.95242
    A3        1.91728   0.00140   0.00089  -0.00381  -0.00292   1.91436
    A4        1.74215  -0.00018  -0.00036  -0.00339  -0.00383   1.73832
    A5        1.89132   0.00024   0.00065  -0.00043   0.00021   1.89153
    A6        1.98712  -0.00009   0.00017  -0.00157  -0.00135   1.98577
    A7        2.00589   0.00024   0.00078  -0.00758  -0.00676   1.99913
    A8        1.91055  -0.00004  -0.00087   0.01428   0.01345   1.92399
    A9        1.92273  -0.00017  -0.00032  -0.00181  -0.00217   1.92056
   A10        1.93974  -0.00035  -0.00036   0.00583   0.00539   1.94514
   A11        1.81328   0.00057   0.00058  -0.00584  -0.00520   1.80808
   A12        1.89793  -0.00040  -0.00142   0.00389   0.00248   1.90040
   A13        2.07907  -0.00039  -0.00066   0.00098   0.00036   2.07943
   A14        1.87356   0.00067   0.00222  -0.01332  -0.01107   1.86249
   A15        1.85306  -0.00014  -0.00059   0.00952   0.00888   1.86194
   A16        1.90159  -0.00034  -0.00055   0.00306   0.00236   1.90395
   A17        1.93235   0.00049   0.00056  -0.00443  -0.00377   1.92858
   A18        1.90734   0.00001   0.00023   0.00118   0.00140   1.90874
   A19        1.94845  -0.00017  -0.00032  -0.00040  -0.00070   1.94775
   A20        1.87099   0.00015  -0.00024   0.00718   0.00699   1.87798
   A21        1.90179  -0.00015   0.00029  -0.00619  -0.00593   1.89586
   A22        1.88374  -0.00015   0.00068  -0.01222  -0.01158   1.87216
   A23        1.80218  -0.00003   0.00009  -0.00876  -0.00860   1.79358
   A24        1.82480   0.00027   0.00009   0.00096   0.00099   1.82578
   A25        1.98131   0.00070  -0.00047   0.01433   0.01383   1.99513
   A26        1.94195   0.00038   0.00110  -0.01110  -0.01013   1.93182
   A27        2.01233  -0.00120  -0.00138   0.01362   0.01226   2.02459
   A28        1.96649  -0.00107   0.00000  -0.02182  -0.02230   1.94419
   A29        1.93051  -0.00008  -0.00554   0.06848   0.06320   1.99371
   A30        1.79043   0.00115   0.00620  -0.05423  -0.04796   1.74248
   A31        1.82027   0.00028  -0.00010  -0.00084  -0.00098   1.81929
   A32        2.00850  -0.00049  -0.00240   0.02130   0.01861   2.02711
   A33        1.95140   0.00017   0.00144  -0.00845  -0.00676   1.94463
   A34        1.83139   0.00013   0.00033  -0.00280  -0.00251   1.82888
   A35        1.95222  -0.00020   0.00011  -0.00736  -0.00727   1.94495
   A36        1.94444   0.00017  -0.00028   0.01014   0.00984   1.95428
   A37        1.93197   0.00007  -0.00017  -0.00147  -0.00171   1.93026
   A38        1.95080  -0.00012  -0.00042   0.01100   0.01058   1.96138
   A39        1.85518  -0.00004   0.00040  -0.00909  -0.00865   1.84653
   A40        1.96850  -0.00055  -0.00130   0.01003   0.00867   1.97717
   A41        1.93782   0.00021  -0.00083   0.01533   0.01452   1.95234
   A42        1.91463   0.00014   0.00061  -0.00820  -0.00763   1.90700
   A43        1.91225   0.00016   0.00005  -0.00074  -0.00091   1.91134
   A44        1.87947   0.00016   0.00006  -0.00123  -0.00111   1.87836
   A45        1.84628  -0.00011   0.00160  -0.01753  -0.01589   1.83039
   A46        1.85053  -0.00052  -0.00038  -0.00059  -0.00096   1.84957
   A47        1.95514   0.00063   0.00035   0.00203   0.00234   1.95748
   A48        1.87861   0.00003  -0.00019   0.00664   0.00646   1.88506
   A49        1.97350   0.00004   0.00023  -0.00182  -0.00150   1.97201
   A50        1.89925   0.00018   0.00010  -0.00207  -0.00208   1.89717
   A51        1.90357  -0.00036  -0.00012  -0.00373  -0.00385   1.89972
   A52        1.98068  -0.00181  -0.00661   0.06093   0.05446   2.03513
   A53        1.80290   0.00153   0.00232  -0.01603  -0.01431   1.78860
   A54        1.86344   0.00021   0.00323  -0.03260  -0.02954   1.83391
   A55        2.00222   0.00018   0.00024   0.00123   0.00118   2.00340
   A56        1.90597   0.00016   0.00037  -0.00560  -0.00509   1.90089
   A57        1.90132  -0.00020   0.00082  -0.01244  -0.01176   1.88956
   A58        1.87965   0.00007   0.00028  -0.00119  -0.00092   1.87872
   A59        1.97462  -0.00075  -0.00095   0.00462   0.00368   1.97830
   A60        1.91097   0.00020   0.00043  -0.00301  -0.00257   1.90840
   A61        1.86383   0.00066   0.00107  -0.00523  -0.00414   1.85969
   A62        1.96164  -0.00007  -0.00011  -0.00061  -0.00075   1.96089
   A63        1.87425  -0.00012  -0.00073   0.00544   0.00472   1.87897
   A64        1.95669  -0.00027  -0.00011   0.00249   0.00231   1.95900
   A65        1.91437  -0.00005  -0.00039   0.00246   0.00210   1.91646
   A66        1.92696   0.00017   0.00001   0.00108   0.00110   1.92806
   A67        1.91089   0.00017   0.00013  -0.00125  -0.00112   1.90978
   A68        1.91209  -0.00003  -0.00008  -0.00106  -0.00111   1.91098
   A69        1.83915   0.00003   0.00048  -0.00414  -0.00367   1.83548
   A70        1.96771   0.00028   0.00041  -0.00356  -0.00316   1.96455
   A71        1.95110   0.00009   0.00023  -0.00203  -0.00180   1.94930
   A72        1.94301  -0.00027  -0.00054   0.00565   0.00510   1.94811
   A73        1.86538  -0.00017  -0.00024   0.00198   0.00174   1.86712
   A74        1.88918   0.00001  -0.00080   0.01130   0.01048   1.89966
   A75        1.84102   0.00006   0.00095  -0.01372  -0.01277   1.82825
   A76        1.93758   0.00013   0.00043   0.00044   0.00085   1.93844
   A77        1.93016  -0.00019  -0.00030   0.00244   0.00212   1.93228
   A78        1.91154  -0.00010  -0.00047   0.00115   0.00070   1.91224
   A79        1.91407   0.00004  -0.00009   0.00111   0.00101   1.91508
   A80        1.93865   0.00000  -0.00021  -0.00009  -0.00029   1.93836
   A81        1.82913   0.00012   0.00065  -0.00530  -0.00466   1.82447
   A82        2.01532  -0.00007   0.00027  -0.00269  -0.00246   2.01286
   A83        2.14036   0.00020   0.00015   0.00036   0.00049   2.14085
   A84        2.12738  -0.00013  -0.00043   0.00229   0.00191   2.12929
   A85        2.14373  -0.00100   0.00049  -0.01246  -0.01197   2.13176
   A86        2.11504  -0.00105  -0.00248   0.02083   0.01834   2.13338
   A87        2.02418   0.00205   0.00196  -0.00848  -0.00653   2.01765
   A88        1.94352  -0.00019  -0.00007  -0.00156  -0.00164   1.94188
   A89        1.94943  -0.00013  -0.00014  -0.00198  -0.00214   1.94729
   A90        1.94750   0.00065  -0.00061   0.01516   0.01454   1.96204
   A91        1.87755   0.00003   0.00030  -0.00382  -0.00353   1.87403
   A92        1.85381  -0.00003   0.00066  -0.00492  -0.00427   1.84954
   A93        1.88772  -0.00035  -0.00007  -0.00369  -0.00377   1.88396
   A94        1.95436   0.00015  -0.00020   0.00290   0.00268   1.95704
   A95        1.96709  -0.00071  -0.00075   0.00299   0.00222   1.96932
   A96        1.93508  -0.00013  -0.00014   0.00308   0.00293   1.93801
   A97        1.87285   0.00011  -0.00133   0.01155   0.01019   1.88304
   A98        1.87604   0.00009   0.00040  -0.00362  -0.00322   1.87281
   A99        1.85289   0.00055   0.00214  -0.01801  -0.01588   1.83702
   A100       2.16155   0.00038   0.00029  -0.00049  -0.00024   2.16130
   A101       2.01218  -0.00051  -0.00046   0.00466   0.00422   2.01639
   A102       2.10933   0.00013   0.00016  -0.00405  -0.00389   2.10544
   A103       2.14901  -0.00025  -0.00013  -0.00041  -0.00050   2.14851
   A104       2.13946   0.00008   0.00007  -0.00194  -0.00191   2.13755
   A105       1.99468   0.00017   0.00005   0.00245   0.00245   1.99713
   A106       1.94580   0.00027  -0.00117   0.01330   0.01214   1.95793
   A107       1.82977  -0.00031  -0.00090   0.00915   0.00831   1.83808
   A108       1.91136  -0.00082  -0.00157   0.00274   0.00114   1.91250
   A109       1.96172   0.00043   0.00287  -0.02336  -0.02051   1.94121
   A110       1.92365   0.00051   0.00023   0.00079   0.00096   1.92461
   A111       1.88847  -0.00016   0.00038  -0.00232  -0.00199   1.88648
   A112       2.13255   0.00004  -0.00011  -0.00065  -0.00070   2.13185
   A113       2.14794  -0.00017  -0.00012  -0.00071  -0.00088   2.14706
   A114       2.00269   0.00013   0.00023   0.00136   0.00155   2.00425
   A115       2.14141   0.00015   0.00015  -0.00127  -0.00156   2.13984
   A116       2.12373   0.00015   0.00000   0.00018  -0.00027   2.12346
   A117       2.01804  -0.00030  -0.00015   0.00130   0.00089   2.01893
    D1       -0.48320  -0.00110   0.08930  -1.22868  -1.13863  -1.62183
    D2        1.54649  -0.00148   0.08570  -1.19876  -1.11277   0.43372
    D3       -2.65312  -0.00067   0.08805  -1.20680  -1.11978   2.51029
    D4       -0.91754  -0.00041  -0.05686   0.58270   0.52604  -0.39150
    D5       -3.09629  -0.00063  -0.05488   0.55632   0.50161  -2.59468
    D6        1.18319  -0.00116  -0.05828   0.59033   0.53168   1.71487
    D7        0.50789  -0.00001   0.00374  -0.06360  -0.05988   0.44801
    D8        2.63482   0.00046   0.00599  -0.07873  -0.07270   2.56211
    D9       -1.62564  -0.00027   0.00526  -0.07536  -0.07011  -1.69575
   D10        3.05302  -0.00052  -0.00109   0.01390   0.01282   3.06583
   D11        0.79661  -0.00021  -0.00045   0.01308   0.01260   0.80921
   D12       -1.17147  -0.00015   0.00053   0.00344   0.00398  -1.16750
   D13       -1.12632  -0.00024  -0.00013   0.00355   0.00344  -1.12288
   D14        2.90046   0.00008   0.00052   0.00273   0.00322   2.90368
   D15        0.93237   0.00013   0.00150  -0.00691  -0.00540   0.92697
   D16        1.01958  -0.00033   0.00006  -0.00017  -0.00012   1.01946
   D17       -1.23682  -0.00002   0.00071  -0.00100  -0.00034  -1.23716
   D18        3.07828   0.00004   0.00169  -0.01063  -0.00896   3.06932
   D19        1.40299  -0.00016  -0.00780   0.05662   0.04866   1.45165
   D20       -0.69151   0.00034  -0.00110  -0.01394  -0.01500  -0.70651
   D21       -2.83570   0.00022  -0.00139  -0.01559  -0.01712  -2.85282
   D22       -0.61566  -0.00043  -0.00868   0.06230   0.05345  -0.56220
   D23       -2.71016   0.00006  -0.00197  -0.00826  -0.01020  -2.72036
   D24        1.42884  -0.00006  -0.00226  -0.00991  -0.01232   1.41651
   D25       -2.78988  -0.00036  -0.00814   0.05885   0.05059  -2.73929
   D26        1.39879   0.00014  -0.00143  -0.01171  -0.01306   1.38573
   D27       -0.74539   0.00001  -0.00172  -0.01335  -0.01519  -0.76057
   D28        0.96068  -0.00011  -0.00004  -0.00681  -0.00681   0.95387
   D29       -1.19322  -0.00008   0.00144  -0.02483  -0.02345  -1.21667
   D30        3.05555  -0.00016  -0.00040  -0.00746  -0.00785   3.04770
   D31        2.89164  -0.00005   0.00034  -0.01523  -0.01491   2.87673
   D32        0.73773  -0.00002   0.00183  -0.03326  -0.03155   0.70619
   D33       -1.29668  -0.00010  -0.00001  -0.01589  -0.01595  -1.31263
   D34       -1.22374  -0.00005  -0.00048  -0.00334  -0.00382  -1.22756
   D35        2.90555  -0.00002   0.00100  -0.02136  -0.02046   2.88509
   D36        0.87113  -0.00010  -0.00084  -0.00399  -0.00486   0.86627
   D37        0.98824  -0.00015   0.00826  -0.11415  -0.10589   0.88235
   D38        3.09028  -0.00011   0.00842  -0.11558  -0.10717   2.98311
   D39       -1.13881  -0.00016   0.00941  -0.13046  -0.12107  -1.25988
   D40       -0.94443   0.00014   0.00914  -0.11782  -0.10865  -1.05308
   D41        1.15761   0.00018   0.00929  -0.11925  -0.10993   1.04768
   D42       -3.07149   0.00013   0.01029  -0.13413  -0.12382   3.08787
   D43        3.11688  -0.00003   0.00899  -0.11718  -0.10820   3.00868
   D44       -1.06426   0.00001   0.00915  -0.11862  -0.10948  -1.17374
   D45        0.98983  -0.00004   0.01014  -0.13350  -0.12337   0.86645
   D46        1.07588  -0.00014   0.00060  -0.01615  -0.01557   1.06030
   D47       -3.05810  -0.00026   0.00019  -0.01750  -0.01734  -3.07544
   D48       -0.96323  -0.00013   0.00106  -0.02715  -0.02611  -0.98935
   D49       -3.10122   0.00004   0.00057  -0.01836  -0.01776  -3.11898
   D50       -0.95201  -0.00008   0.00017  -0.01971  -0.01953  -0.97154
   D51        1.14285   0.00004   0.00103  -0.02937  -0.02830   1.11455
   D52       -0.99752   0.00014   0.00117  -0.01603  -0.01483  -1.01235
   D53        1.15169   0.00002   0.00076  -0.01737  -0.01660   1.13509
   D54       -3.03663   0.00014   0.00163  -0.02703  -0.02537  -3.06200
   D55       -0.59600  -0.00006   0.00164  -0.00652  -0.00482  -0.60082
   D56        1.49952   0.00000   0.00170  -0.01400  -0.01228   1.48724
   D57       -2.71000  -0.00008   0.00209  -0.02361  -0.02153  -2.73153
   D58       -2.76488   0.00019   0.00207  -0.01002  -0.00786  -2.77274
   D59       -0.66935   0.00025   0.00213  -0.01750  -0.01532  -0.68468
   D60        1.40431   0.00017   0.00252  -0.02711  -0.02457   1.37974
   D61        1.40426  -0.00032   0.00006  -0.00084  -0.00072   1.40354
   D62       -2.78340  -0.00026   0.00012  -0.00832  -0.00818  -2.79158
   D63       -0.70974  -0.00034   0.00051  -0.01793  -0.01743  -0.72717
   D64        1.11350   0.00003  -0.00163   0.01875   0.01708   1.13058
   D65       -0.87286  -0.00023  -0.00190   0.02917   0.02731  -0.84555
   D66        3.10602   0.00047  -0.00054   0.00704   0.00654   3.11256
   D67       -1.02606  -0.00025  -0.00175   0.02250   0.02068  -1.00538
   D68       -3.01241  -0.00050  -0.00202   0.03292   0.03091  -2.98151
   D69        0.96646   0.00020  -0.00066   0.01078   0.01014   0.97660
   D70       -3.10755  -0.00006  -0.00177   0.02578   0.02394  -3.08361
   D71        1.18928  -0.00031  -0.00204   0.03620   0.03417   1.22345
   D72       -1.11503   0.00039  -0.00068   0.01406   0.01341  -1.10163
   D73       -3.05396   0.00017   0.00058   0.00022   0.00084  -3.05312
   D74        1.10248   0.00017   0.00076  -0.00159  -0.00077   1.10171
   D75       -0.91675   0.00007   0.00040   0.00137   0.00182  -0.91493
   D76       -0.93211  -0.00003   0.00005   0.00076   0.00075  -0.93136
   D77       -3.05885  -0.00004   0.00024  -0.00105  -0.00086  -3.05972
   D78        1.20510  -0.00014  -0.00012   0.00191   0.00173   1.20683
   D79        1.13104  -0.00004  -0.00025   0.00544   0.00517   1.13622
   D80       -0.99570  -0.00005  -0.00007   0.00363   0.00356  -0.99214
   D81       -3.01493  -0.00015  -0.00042   0.00659   0.00615  -3.00878
   D82        2.93536  -0.00076   0.00360  -0.04823  -0.04477   2.89059
   D83       -1.28080   0.00003   0.00193  -0.02237  -0.02032  -1.30112
   D84        0.85887   0.00002   0.00346  -0.04209  -0.03869   0.82017
   D85       -1.31307  -0.00062   0.00425  -0.06120  -0.05723  -1.37030
   D86        0.75396   0.00018   0.00257  -0.03534  -0.03278   0.72118
   D87        2.89362   0.00017   0.00410  -0.05506  -0.05115   2.84247
   D88        0.95643  -0.00051   0.00408  -0.05026  -0.04624   0.91019
   D89        3.02346   0.00028   0.00240  -0.02441  -0.02179   3.00167
   D90       -1.12007   0.00027   0.00394  -0.04413  -0.04016  -1.16023
   D91        1.07597   0.00008   0.00278  -0.03812  -0.03537   1.04060
   D92        3.13161   0.00050   0.00371  -0.04264  -0.03894   3.09266
   D93       -1.06185   0.00000   0.00247  -0.03482  -0.03235  -1.09420
   D94       -0.95303  -0.00008   0.00138  -0.01894  -0.01756  -0.97059
   D95        1.10261   0.00034   0.00232  -0.02346  -0.02113   1.08148
   D96       -3.09085  -0.00017   0.00108  -0.01564  -0.01453  -3.10538
   D97        3.04172  -0.00036   0.00228  -0.04156  -0.03926   3.00246
   D98       -1.18583   0.00006   0.00322  -0.04608  -0.04283  -1.22866
   D99        0.90390  -0.00045   0.00198  -0.03826  -0.03623   0.86767
   D100      -1.77414   0.00091   0.00506  -0.00006   0.00467  -1.76947
   D101       0.38627   0.00100   0.00529  -0.00147   0.00360   0.38987
   D102       2.47874   0.00095   0.00523  -0.00054   0.00446   2.48321
   D103       0.34442  -0.00024   0.00222   0.00959   0.01186   0.35627
   D104       2.50483  -0.00015   0.00246   0.00818   0.01079   2.51561
   D105      -1.68588  -0.00020   0.00239   0.00910   0.01165  -1.67423
   D106       2.52544  -0.00056   0.00005   0.03020   0.03006   2.55550
   D107      -1.59733  -0.00047   0.00028   0.02878   0.02899  -1.56834
   D108       0.49514  -0.00052   0.00022   0.02971   0.02985   0.52500
   D109      -2.81734  -0.00016   0.01668  -0.11427  -0.09785  -2.91519
   D110       0.30113  -0.00021   0.01528  -0.11935  -0.10426   0.19687
   D111       1.32400   0.00064   0.01371  -0.06131  -0.04755   1.27645
   D112      -1.84071   0.00059   0.01231  -0.06639  -0.05396  -1.89467
   D113      -0.74842   0.00049   0.01449  -0.06902  -0.05443  -0.80285
   D114       2.37006   0.00045   0.01309  -0.07410  -0.06084   2.30922
   D115       0.15154   0.00000  -0.00256   0.00021  -0.00238   0.14915
   D116      -1.99733  -0.00045  -0.00287  -0.00079  -0.00371  -2.00105
   D117       2.16785  -0.00014  -0.00294   0.00661   0.00361   2.17147
   D118      -1.95740   0.00013  -0.00280   0.01147   0.00869  -1.94872
   D119       2.17691  -0.00032  -0.00311   0.01047   0.00736   2.18427
   D120       0.05891  -0.00002  -0.00318   0.01788   0.01468   0.07360
   D121       2.26135   0.00021  -0.00292   0.01676   0.01387   2.27522
   D122       0.11248  -0.00024  -0.00323   0.01576   0.01254   0.12502
   D123      -2.00552   0.00007  -0.00330   0.02317   0.01987  -1.98565
   D124       1.36321  -0.00071  -0.00752   0.08859   0.08086   1.44407
   D125      -0.80148   0.00035  -0.00104   0.02304   0.02197  -0.77951
   D126      -2.94365   0.00016  -0.00233   0.03905   0.03669  -2.90696
   D127      -2.75195  -0.00070  -0.00947   0.11513   0.10549  -2.64647
   D128       1.36654   0.00036  -0.00299   0.04957   0.04660   1.41314
   D129      -0.77563   0.00017  -0.00427   0.06558   0.06132  -0.71431
   D130      -0.75178  -0.00066  -0.00751   0.09342   0.08575  -0.66602
   D131      -2.91647   0.00040  -0.00103   0.02786   0.02687  -2.88960
   D132       1.22455   0.00022  -0.00232   0.04387   0.04158   1.26613
   D133       1.12544   0.00019  -0.00677   0.05255   0.04576   1.17120
   D134      -3.05815   0.00001  -0.00654   0.04525   0.03869  -3.01946
   D135      -0.94275  -0.00008  -0.00715   0.04979   0.04262  -0.90013
   D136      -3.06794   0.00000  -0.00685   0.05196   0.04514  -3.02280
   D137      -0.96834  -0.00018  -0.00662   0.04466   0.03807  -0.93027
   D138       1.14706  -0.00027  -0.00723   0.04920   0.04200   1.18906
   D139      -0.95238   0.00000  -0.00667   0.04548   0.03880  -0.91358
   D140       1.14722  -0.00018  -0.00643   0.03817   0.03173   1.17895
   D141      -3.02057  -0.00027  -0.00704   0.04271   0.03566  -2.98491
   D142       0.98136  -0.00037  -0.00201   0.01516   0.01317   0.99453
   D143      -2.17735  -0.00032  -0.00225   0.01215   0.00993  -2.16743
   D144      -1.14460   0.00011  -0.00164   0.01327   0.01164  -1.13296
   D145       1.97986   0.00016  -0.00187   0.01027   0.00840   1.98827
   D146       3.08764  -0.00011  -0.00135   0.01025   0.00890   3.09654
   D147      -0.07108  -0.00006  -0.00159   0.00724   0.00566  -0.06542
   D148      -0.83140  -0.00014  -0.00833   0.00498  -0.00334  -0.83474
   D149       1.28228  -0.00040  -0.01072   0.02432   0.01362   1.29590
   D150      -2.92661  -0.00026  -0.00860   0.00551  -0.00308  -2.92968
   D151       1.23345  -0.00005  -0.00785   0.00278  -0.00507   1.22838
   D152      -2.93606  -0.00031  -0.01024   0.02212   0.01190  -2.92416
   D153      -0.86176  -0.00017  -0.00812   0.00331  -0.00480  -0.86656
   D154      -2.94205   0.00016  -0.00779   0.00214  -0.00568  -2.94773
   D155      -0.82838  -0.00010  -0.01019   0.02148   0.01129  -0.81709
   D156       1.24593   0.00004  -0.00807   0.00268  -0.00541   1.24052
   D157       2.15871   0.00027   0.00160  -0.01024  -0.00867   2.15004
   D158      -1.00053   0.00029   0.00097  -0.00264  -0.00168  -1.00221
   D159       0.07057   0.00008   0.00102  -0.00632  -0.00530   0.06527
   D160      -3.08868   0.00011   0.00040   0.00127   0.00169  -3.08699
   D161      -1.97417  -0.00061   0.00024  -0.00300  -0.00277  -1.97694
   D162       1.14977  -0.00058  -0.00038   0.00459   0.00422   1.15399
   D163       0.91084   0.00002   0.00028  -0.00921  -0.00895   0.90189
   D164      -1.21794   0.00001   0.00032  -0.01260  -0.01228  -1.23023
   D165       3.05797   0.00003  -0.00002  -0.00823  -0.00825   3.04971
   D166       3.03957  -0.00010  -0.00020  -0.00529  -0.00551   3.03406
   D167       0.91079  -0.00010  -0.00016  -0.00868  -0.00885   0.90194
   D168      -1.09649  -0.00009  -0.00050  -0.00431  -0.00482  -1.10131
   D169      -1.23479   0.00001   0.00040  -0.01154  -0.01115  -1.24594
   D170       2.91961   0.00001   0.00044  -0.01493  -0.01449   2.90513
   D171       0.91234   0.00002   0.00010  -0.01056  -0.01046   0.90188
   D172      -0.97017   0.00016   0.00072   0.00249   0.00324  -0.96693
   D173       2.18841   0.00010   0.00094   0.00550   0.00648   2.19488
   D174       1.16796   0.00003   0.00056   0.00663   0.00719   1.17516
   D175      -1.95664  -0.00003   0.00079   0.00963   0.01042  -1.94622
   D176      -3.10160   0.00020   0.00117   0.00078   0.00196  -3.09964
   D177       0.05698   0.00014   0.00140   0.00378   0.00519   0.06217
   D178       0.01658   0.00002   0.00169  -0.01753  -0.01584   0.00074
   D179      -3.13543   0.00001   0.00100  -0.00518  -0.00418  -3.13961
   D180       3.13996   0.00008   0.00144  -0.02078  -0.01934   3.12062
   D181      -0.01205   0.00007   0.00075  -0.00843  -0.00768  -0.01973
   D182      -0.25740   0.00017  -0.00640   0.05039   0.04391  -0.21349
   D183      -2.30608   0.00011  -0.00634   0.04527   0.03895  -2.26713
   D184       1.86904  -0.00033  -0.00899   0.06343   0.05439   1.92342
   D185       2.90690   0.00022  -0.00508   0.05585   0.05076   2.95766
   D186       0.85822   0.00016  -0.00503   0.05073   0.04579   0.90402
   D187      -1.24985  -0.00028  -0.00768   0.06889   0.06123  -1.18862
   D188      -0.01493  -0.00007  -0.00054   0.01535   0.01480  -0.00012
   D189       3.12761   0.00003  -0.00010   0.00549   0.00540   3.13301
   D190      -3.13793  -0.00009   0.00013   0.00726   0.00739  -3.13053
   D191       0.00461   0.00001   0.00057  -0.00259  -0.00201   0.00260
   D192      -3.09308  -0.00008  -0.00063  -0.02670  -0.02729  -3.12037
   D193       0.04384  -0.00001  -0.00102   0.02454   0.02352   0.06736
   D194       0.05814  -0.00007   0.00001  -0.03809  -0.03807   0.02007
   D195      -3.08812   0.00000  -0.00039   0.01315   0.01274  -3.07538
   D196       3.09209   0.00009   0.00004   0.02743   0.02748   3.11957
   D197      -0.04488   0.00002   0.00043  -0.02323  -0.02281  -0.06769
   D198      -0.05038   0.00000  -0.00037   0.03652   0.03617  -0.01421
   D199       3.09584  -0.00007   0.00002  -0.01414  -0.01412   3.08172
         Item               Value     Threshold  Converged?
 Maximum Force            0.003008     0.000450     NO 
 RMS     Force            0.000527     0.000300     NO 
 Maximum Displacement     1.169017     0.001800     NO 
 RMS     Displacement     0.102526     0.001200     NO 
 Predicted change in Energy=-1.392387D-03
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C22H29FO5
 Framework group  C1[X(C22H29FO5)]
 Deg. of freedom   165
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          9           0        1.534107   -0.011958   -1.363952
      2          8           0       -3.011102    0.138596   -1.743378
      3          8           0        0.367796   -2.330110    1.164268
      4          8           0       -4.724846   -0.355893    1.183443
      5          8           0       -5.845972   -2.178653   -0.493794
      6          8           0        6.443819   -0.219291   -1.534304
      7          6           0       -1.630200   -0.156742    0.287433
      8          6           0       -0.741979    1.100138    0.013477
      9          6           0        0.657286    0.941062    0.620550
     10          6           0        1.355864   -0.295066   -0.025022
     11          6           0       -2.978200    0.338200   -0.326440
     12          6           0       -1.626966    2.274520    0.467714
     13          6           0       -1.004193   -1.358230   -0.434026
     14          6           0       -3.074302    1.839691    0.114243
     15          6           0        0.472093   -1.592139   -0.059396
     16          6           0        2.814808   -0.468570    0.541945
     17          6           0        1.480161    2.224724    0.420668
     18          6           0       -1.809773   -0.472650    1.771986
     19          6           0        2.927348    2.067232    0.901950
     20          6           0        3.565117    0.846531    0.303954
     21          6           0       -4.235775   -0.447295    0.078666
     22          6           0       -3.711800    2.711855   -0.956096
     23          6           0        2.853128   -0.727375    2.061352
     24          6           0        3.485118   -1.649571   -0.144440
     25          6           0        4.722644    0.907340   -0.368969
     26          6           0       -4.843047   -1.307996   -1.001551
     27          6           0        4.638123   -1.564977   -0.811332
     28          6           0        5.384715   -0.281733   -0.945075
     29          1           0       -0.602690    1.211443   -1.091521
     30          1           0        0.565346    0.743073    1.716637
     31          1           0       -1.530301    2.456488    1.550510
     32          1           0       -1.340000    3.224022   -0.024336
     33          1           0       -1.097481   -1.273133   -1.533002
     34          1           0       -1.569489   -2.280999   -0.169672
     35          1           0       -3.699475    1.888880    1.039778
     36          1           0        0.912292   -2.312553   -0.797937
     37          1           0        1.002130    3.064462    0.960410
     38          1           0        1.475851    2.526515   -0.648798
     39          1           0       -2.128820    0.399383    2.351235
     40          1           0       -2.563048   -1.257675    1.932190
     41          1           0       -0.887751   -0.874970    2.214803
     42          1           0        2.968311    2.006921    2.008898
     43          1           0        3.503739    2.981477    0.651406
     44          1           0       -4.770404    2.457680   -1.098398
     45          1           0       -3.663028    3.773950   -0.691984
     46          1           0       -3.236550    2.585286   -1.936647
     47          1           0        2.221271   -0.022146    2.617104
     48          1           0        2.535889   -1.753030    2.330474
     49          1           0        3.877840   -0.628609    2.453677
     50          1           0       -2.698179    0.944638   -2.204130
     51          1           0        2.964245   -2.604253   -0.053197
     52          1           0        1.136658   -2.140818    1.781861
     53          1           0        5.255755    1.846180   -0.535239
     54          1           0       -4.079395   -1.975734   -1.462111
     55          1           0       -5.272637   -0.673525   -1.801725
     56          1           0        5.111796   -2.423857   -1.292920
     57          1           0       -6.237410   -1.792354    0.328759
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.4248322      0.1015590      0.0941870
 Standard basis: VSTO-6G (5D, 7F)
 There are   141 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   141 basis functions,   846 primitive gaussians,   141 cartesian basis functions
    77 alpha electrons       77 beta electrons
       nuclear repulsion energy      1657.1441571818 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   141 RedAO= F  NBF=   141
 NBsUse=   141 1.00D-04 NBFU=   141
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=982442.
 SCF Done:  E(RPM6) = -0.412624943553     A.U. after   15 cycles
             Convg  =    0.7844D-08             -V/T =  0.9987
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        9           0.000638177    0.001099763   -0.000611899
      2        8           0.008578649   -0.003962050    0.003729169
      3        8           0.012987624   -0.005068689   -0.009222015
      4        8          -0.001493418    0.001014880    0.001641596
      5        8          -0.001142607    0.000237703   -0.000405926
      6        8           0.000935472    0.000091674   -0.001874758
      7        6           0.007431855    0.002571610    0.005225533
      8        6           0.000214062    0.000214375   -0.000772870
      9        6          -0.001029205    0.000515501   -0.001841522
     10        6          -0.002068245   -0.000349685   -0.002038122
     11        6          -0.010064814    0.000459619   -0.004587703
     12        6           0.002539713   -0.002270151    0.001306856
     13        6          -0.001332100    0.000791184    0.001284024
     14        6           0.001927055   -0.001206107    0.001786327
     15        6          -0.003042807   -0.001203433    0.003301787
     16        6           0.001537221    0.002488191   -0.000109648
     17        6           0.001135163   -0.000635212    0.000754961
     18        6          -0.001505354   -0.000217699   -0.000554419
     19        6          -0.000802107   -0.000305950    0.001004781
     20        6           0.000070124    0.001334306    0.000276976
     21        6           0.000699514   -0.002076197   -0.012161922
     22        6          -0.002251310    0.000468724    0.000764975
     23        6          -0.000757897    0.003579362   -0.000246829
     24        6           0.000069580   -0.001879289   -0.000137405
     25        6           0.000639949   -0.001139173   -0.002926196
     26        6           0.002032884    0.003677210    0.002366653
     27        6           0.000597330    0.000081170   -0.002883818
     28        6          -0.002214515    0.000291726    0.006230350
     29        1          -0.001667186    0.001045008    0.001739542
     30        1           0.000031182    0.000431579   -0.000542557
     31        1          -0.000099004   -0.000307549   -0.000553015
     32        1          -0.000911689    0.002984068   -0.000792119
     33        1          -0.001478174   -0.002628072    0.001087972
     34        1           0.000481493    0.000244692   -0.000035640
     35        1          -0.000540703    0.000560948   -0.000861040
     36        1           0.001318379   -0.000233880   -0.000864975
     37        1          -0.000424247    0.000083104   -0.000464003
     38        1           0.000222002    0.000495366   -0.000725752
     39        1           0.000143199    0.000558561   -0.000500377
     40        1          -0.000455684   -0.000420090    0.000024195
     41        1           0.000091934   -0.000961708    0.000316580
     42        1          -0.000304873    0.000245492   -0.000600398
     43        1           0.000112747   -0.000585244    0.000649693
     44        1          -0.001038318   -0.000555946   -0.000741159
     45        1           0.000013807   -0.000509012    0.000078200
     46        1           0.001827705   -0.001109196    0.000747427
     47        1           0.000285981    0.000093357    0.000186603
     48        1          -0.001198199   -0.002032071    0.002047478
     49        1          -0.000539166   -0.000228723    0.001059267
     50        1           0.002321576   -0.001260178    0.004338651
     51        1          -0.001286492    0.000027830   -0.000761285
     52        1          -0.005582599    0.003503995    0.005140664
     53        1          -0.000085682    0.000391322    0.000095719
     54        1          -0.001661405    0.000615862    0.000464593
     55        1          -0.001953117    0.000593794    0.001282357
     56        1          -0.000475197   -0.000433236   -0.000034677
     57        1          -0.001478264    0.000786565   -0.001080882
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.012987624 RMS     0.002554181

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.008673730 RMS     0.001667700
 Search for a local minimum.
 Step number  15 out of a maximum of  342
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Update second derivatives using D2CorX and points   15   14
 DE=  2.51D-03 DEPred=-1.39D-03 R=-1.80D+00
 Trust test=-1.80D+00 RLast= 2.21D+00 DXMaxT set to 1.11D+00
 Use linear search instead of GDIIS.
 Quartic linear search produced a step of -0.74796.
 Iteration  1 RMS(Cart)=  0.04176141 RMS(Int)=  0.05999586
 Iteration  2 RMS(Cart)=  0.02509913 RMS(Int)=  0.03964774
 Iteration  3 RMS(Cart)=  0.01803041 RMS(Int)=  0.02177925
 Iteration  4 RMS(Cart)=  0.01789091 RMS(Int)=  0.00422286
 Iteration  5 RMS(Cart)=  0.00421121 RMS(Int)=  0.00010812
 Iteration  6 RMS(Cart)=  0.00010654 RMS(Int)=  0.00002275
 Iteration  7 RMS(Cart)=  0.00000005 RMS(Int)=  0.00002275
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.60799  -0.00069   0.00003   0.00000   0.00003   2.60803
    R2        2.70478   0.00704   0.00664   0.00000   0.00664   2.71142
    R3        1.85146   0.00390   0.00525   0.00000   0.00525   1.85671
    R4        2.70755   0.00221   0.00138   0.00000   0.00138   2.70892
    R5        1.89765  -0.00819  -0.01407   0.00000  -0.01407   1.88358
    R6        2.28967  -0.00094   0.00014   0.00000   0.00014   2.28981
    R7        2.68695   0.00300   0.00345   0.00000   0.00345   2.69039
    R8        1.86982   0.00117   0.00543   0.00000   0.00543   1.87525
    R9        2.29335  -0.00005  -0.00080   0.00000  -0.00080   2.29254
   R10        2.95410  -0.00161  -0.00409   0.00000  -0.00409   2.95001
   R11        2.95119   0.00091   0.00795   0.00000   0.00795   2.95914
   R12        2.90057  -0.00074   0.00127   0.00000   0.00125   2.90182
   R13        2.88822   0.00076  -0.00064   0.00000  -0.00064   2.88758
   R14        2.89800   0.00057  -0.00015   0.00000  -0.00015   2.89785
   R15        2.90840   0.00036  -0.00195   0.00000  -0.00193   2.90647
   R16        2.11515   0.00141   0.00306   0.00000   0.00306   2.11821
   R17        2.94748  -0.00179  -0.00355   0.00000  -0.00353   2.94395
   R18        2.90604   0.00029  -0.00164   0.00000  -0.00164   2.90441
   R19        2.11198   0.00059   0.00265   0.00000   0.00265   2.11463
   R20        2.96671  -0.00595   0.00006   0.00000   0.00006   2.96677
   R21        2.97599  -0.00367  -0.00151   0.00000  -0.00151   2.97447
   R22        2.96266   0.00104   0.00113   0.00000   0.00113   2.96379
   R23        2.90466   0.00867  -0.00519   0.00000  -0.00519   2.89947
   R24        2.93291   0.00165   0.00083   0.00000   0.00083   2.93374
   R25        2.08291   0.00060  -0.00129   0.00000  -0.00129   2.08162
   R26        2.09241  -0.00312  -0.00287   0.00000  -0.00287   2.08954
   R27        2.91195   0.00210  -0.00122   0.00000  -0.00123   2.91072
   R28        2.09043   0.00126   0.00421   0.00000   0.00421   2.09464
   R29        2.10511  -0.00002  -0.00159   0.00000  -0.00159   2.10352
   R30        2.87381   0.00214  -0.00120   0.00000  -0.00120   2.87261
   R31        2.11267   0.00098   0.00236   0.00000   0.00236   2.11503
   R32        2.11971  -0.00013  -0.00506   0.00000  -0.00506   2.11465
   R33        2.89634  -0.00037  -0.00015   0.00000  -0.00014   2.89620
   R34        2.91352  -0.00285  -0.00176   0.00000  -0.00176   2.91176
   R35        2.87537  -0.00320  -0.00185   0.00000  -0.00184   2.87353
   R36        2.89738  -0.00008  -0.00075   0.00000  -0.00075   2.89664
   R37        2.09154   0.00034   0.00078   0.00000   0.00078   2.09232
   R38        2.09994  -0.00082  -0.00130   0.00000  -0.00130   2.09863
   R39        2.06816  -0.00025   0.00080   0.00000   0.00080   2.06896
   R40        2.07814   0.00000  -0.00186   0.00000  -0.00186   2.07628
   R41        2.07704  -0.00038   0.00225   0.00000   0.00225   2.07929
   R42        2.83740   0.00101   0.00067   0.00000   0.00067   2.83807
   R43        2.09636   0.00060   0.00093   0.00000   0.00093   2.09729
   R44        2.09652   0.00070   0.00073   0.00000   0.00073   2.09725
   R45        2.53279  -0.00029  -0.00009   0.00000  -0.00008   2.53271
   R46        2.85120   0.00700   0.00820   0.00000   0.00820   2.85941
   R47        2.07483   0.00074  -0.00112   0.00000  -0.00112   2.07370
   R48        2.07025   0.00048  -0.00069   0.00000  -0.00069   2.06956
   R49        2.07299   0.00134   0.00308   0.00000   0.00308   2.07607
   R50        2.07479  -0.00032   0.00022   0.00000   0.00022   2.07500
   R51        2.09157  -0.00212  -0.00617   0.00000  -0.00617   2.08540
   R52        2.08188  -0.00086  -0.00188   0.00000  -0.00188   2.08000
   R53        2.52214  -0.00087  -0.00097   0.00000  -0.00097   2.52118
   R54        2.06236   0.00070   0.00006   0.00000   0.00006   2.06242
   R55        2.79279   0.00075   0.00094   0.00000   0.00093   2.79372
   R56        2.06428  -0.00036  -0.00062   0.00000  -0.00062   2.06366
   R57        2.10529  -0.00064  -0.00774   0.00000  -0.00774   2.09755
   R58        2.09357   0.00140   0.00243   0.00000   0.00243   2.09600
   R59        2.81690  -0.00015   0.00123   0.00000   0.00122   2.81812
   R60        2.06488  -0.00058  -0.00060   0.00000  -0.00060   2.06428
    A1        1.92142   0.00535   0.01559   0.00000   0.01559   1.93701
    A2        1.95242   0.00143  -0.01040   0.00000  -0.01040   1.94202
    A3        1.91436   0.00301   0.00218   0.00000   0.00218   1.91654
    A4        1.73832  -0.00041   0.00286   0.00000   0.00288   1.74120
    A5        1.89153   0.00052  -0.00015   0.00000  -0.00015   1.89138
    A6        1.98577  -0.00030   0.00101   0.00000   0.00099   1.98677
    A7        1.99913   0.00044   0.00506   0.00000   0.00505   2.00418
    A8        1.92399  -0.00080  -0.01006   0.00000  -0.01006   1.91393
    A9        1.92056   0.00049   0.00162   0.00000   0.00163   1.92220
   A10        1.94514  -0.00117  -0.00403   0.00000  -0.00402   1.94112
   A11        1.80808   0.00106   0.00389   0.00000   0.00387   1.81196
   A12        1.90040  -0.00056  -0.00185   0.00000  -0.00185   1.89855
   A13        2.07943  -0.00020  -0.00027   0.00000  -0.00028   2.07915
   A14        1.86249   0.00151   0.00828   0.00000   0.00827   1.87076
   A15        1.86194  -0.00076  -0.00664   0.00000  -0.00664   1.85531
   A16        1.90395  -0.00100  -0.00177   0.00000  -0.00174   1.90221
   A17        1.92858   0.00146   0.00282   0.00000   0.00280   1.93138
   A18        1.90874   0.00004  -0.00105   0.00000  -0.00104   1.90770
   A19        1.94775  -0.00073   0.00053   0.00000   0.00052   1.94827
   A20        1.87798   0.00063  -0.00523   0.00000  -0.00524   1.87274
   A21        1.89586  -0.00041   0.00444   0.00000   0.00445   1.90031
   A22        1.87216  -0.00078   0.00866   0.00000   0.00867   1.88083
   A23        1.79358   0.00069   0.00643   0.00000   0.00642   1.80000
   A24        1.82578   0.00085  -0.00074   0.00000  -0.00073   1.82506
   A25        1.99513   0.00207  -0.01034   0.00000  -0.01034   1.98480
   A26        1.93182   0.00184   0.00758   0.00000   0.00760   1.93942
   A27        2.02459  -0.00464  -0.00917   0.00000  -0.00917   2.01541
   A28        1.94419  -0.00461   0.01668   0.00000   0.01678   1.96097
   A29        1.99371  -0.00157  -0.04727   0.00000  -0.04732   1.94639
   A30        1.74248   0.00721   0.03587   0.00000   0.03585   1.77832
   A31        1.81929   0.00171   0.00073   0.00000   0.00074   1.82003
   A32        2.02711  -0.00209  -0.01392   0.00000  -0.01387   2.01325
   A33        1.94463  -0.00098   0.00506   0.00000   0.00501   1.94964
   A34        1.82888   0.00046   0.00188   0.00000   0.00189   1.83077
   A35        1.94495  -0.00010   0.00544   0.00000   0.00544   1.95039
   A36        1.95428  -0.00016  -0.00736   0.00000  -0.00736   1.94692
   A37        1.93026  -0.00001   0.00128   0.00000   0.00129   1.93155
   A38        1.96138  -0.00047  -0.00791   0.00000  -0.00792   1.95347
   A39        1.84653   0.00025   0.00647   0.00000   0.00646   1.85300
   A40        1.97717  -0.00066  -0.00648   0.00000  -0.00647   1.97070
   A41        1.95234  -0.00152  -0.01086   0.00000  -0.01086   1.94147
   A42        1.90700   0.00044   0.00570   0.00000   0.00571   1.91271
   A43        1.91134   0.00149   0.00068   0.00000   0.00072   1.91206
   A44        1.87836   0.00005   0.00083   0.00000   0.00082   1.87917
   A45        1.83039   0.00033   0.01189   0.00000   0.01188   1.84226
   A46        1.84957  -0.00172   0.00072   0.00000   0.00072   1.85029
   A47        1.95748   0.00191  -0.00175   0.00000  -0.00174   1.95574
   A48        1.88506  -0.00037  -0.00483   0.00000  -0.00483   1.88023
   A49        1.97201   0.00023   0.00112   0.00000   0.00110   1.97311
   A50        1.89717   0.00053   0.00156   0.00000   0.00158   1.89875
   A51        1.89972  -0.00063   0.00288   0.00000   0.00288   1.90260
   A52        2.03513  -0.00633  -0.04073   0.00000  -0.04076   1.99437
   A53        1.78860   0.00663   0.01070   0.00000   0.01082   1.79942
   A54        1.83391  -0.00008   0.02209   0.00000   0.02213   1.85604
   A55        2.00340  -0.00059  -0.00088   0.00000  -0.00082   2.00257
   A56        1.90089   0.00075   0.00380   0.00000   0.00377   1.90466
   A57        1.88956   0.00006   0.00880   0.00000   0.00883   1.89839
   A58        1.87872  -0.00022   0.00069   0.00000   0.00069   1.87942
   A59        1.97830  -0.00202  -0.00275   0.00000  -0.00275   1.97555
   A60        1.90840   0.00086   0.00192   0.00000   0.00192   1.91032
   A61        1.85969   0.00193   0.00310   0.00000   0.00309   1.86278
   A62        1.96089   0.00016   0.00056   0.00000   0.00056   1.96146
   A63        1.87897  -0.00071  -0.00353   0.00000  -0.00353   1.87544
   A64        1.95900  -0.00068  -0.00173   0.00000  -0.00171   1.95729
   A65        1.91646  -0.00023  -0.00157   0.00000  -0.00157   1.91489
   A66        1.92806   0.00036  -0.00083   0.00000  -0.00083   1.92723
   A67        1.90978   0.00048   0.00084   0.00000   0.00083   1.91061
   A68        1.91098   0.00002   0.00083   0.00000   0.00083   1.91181
   A69        1.83548   0.00011   0.00275   0.00000   0.00275   1.83823
   A70        1.96455   0.00096   0.00236   0.00000   0.00237   1.96691
   A71        1.94930  -0.00002   0.00135   0.00000   0.00135   1.95065
   A72        1.94811  -0.00068  -0.00381   0.00000  -0.00381   1.94430
   A73        1.86712  -0.00052  -0.00130   0.00000  -0.00130   1.86582
   A74        1.89966  -0.00042  -0.00784   0.00000  -0.00784   1.89183
   A75        1.82825   0.00065   0.00955   0.00000   0.00955   1.83780
   A76        1.93844   0.00004  -0.00064   0.00000  -0.00063   1.93780
   A77        1.93228  -0.00042  -0.00158   0.00000  -0.00158   1.93070
   A78        1.91224   0.00000  -0.00052   0.00000  -0.00053   1.91171
   A79        1.91508   0.00017  -0.00076   0.00000  -0.00076   1.91432
   A80        1.93836  -0.00007   0.00022   0.00000   0.00021   1.93857
   A81        1.82447   0.00029   0.00348   0.00000   0.00348   1.82795
   A82        2.01286   0.00000   0.00184   0.00000   0.00185   2.01471
   A83        2.14085   0.00017  -0.00037   0.00000  -0.00036   2.14048
   A84        2.12929  -0.00017  -0.00143   0.00000  -0.00144   2.12785
   A85        2.13176  -0.00082   0.00895   0.00000   0.00895   2.14072
   A86        2.13338  -0.00569  -0.01372   0.00000  -0.01372   2.11966
   A87        2.01765   0.00652   0.00489   0.00000   0.00489   2.02253
   A88        1.94188   0.00013   0.00123   0.00000   0.00123   1.94311
   A89        1.94729  -0.00013   0.00160   0.00000   0.00160   1.94889
   A90        1.96204  -0.00008  -0.01087   0.00000  -0.01087   1.95117
   A91        1.87403  -0.00033   0.00264   0.00000   0.00264   1.87667
   A92        1.84954   0.00093   0.00320   0.00000   0.00320   1.85274
   A93        1.88396  -0.00050   0.00282   0.00000   0.00282   1.88678
   A94        1.95704   0.00034  -0.00201   0.00000  -0.00200   1.95504
   A95        1.96932  -0.00213  -0.00166   0.00000  -0.00166   1.96766
   A96        1.93801  -0.00060  -0.00219   0.00000  -0.00219   1.93582
   A97        1.88304   0.00050  -0.00762   0.00000  -0.00761   1.87543
   A98        1.87281   0.00031   0.00241   0.00000   0.00241   1.87522
   A99        1.83702   0.00178   0.01188   0.00000   0.01188   1.84889
   A100       2.16130   0.00056   0.00018   0.00000   0.00019   2.16149
   A101       2.01639  -0.00165  -0.00316   0.00000  -0.00316   2.01324
   A102       2.10544   0.00109   0.00291   0.00000   0.00291   2.10834
   A103       2.14851  -0.00046   0.00038   0.00000   0.00037   2.14888
   A104       2.13755   0.00041   0.00143   0.00000   0.00144   2.13898
   A105       1.99713   0.00005  -0.00183   0.00000  -0.00183   1.99530
   A106       1.95793  -0.00067  -0.00908   0.00000  -0.00908   1.94885
   A107       1.83808  -0.00089  -0.00621   0.00000  -0.00623   1.83185
   A108       1.91250  -0.00144  -0.00085   0.00000  -0.00084   1.91165
   A109       1.94121   0.00182   0.01534   0.00000   0.01535   1.95655
   A110       1.92461   0.00159  -0.00072   0.00000  -0.00070   1.92390
   A111       1.88648  -0.00055   0.00149   0.00000   0.00151   1.88798
   A112       2.13185   0.00025   0.00053   0.00000   0.00051   2.13237
   A113       2.14706  -0.00024   0.00066   0.00000   0.00067   2.14773
   A114       2.00425  -0.00001  -0.00116   0.00000  -0.00115   2.00309
   A115       2.13984   0.00016   0.00117   0.00000   0.00125   2.14110
   A116       2.12346   0.00054   0.00020   0.00000   0.00028   2.12374
   A117       2.01893  -0.00062  -0.00067   0.00000  -0.00062   2.01832
    D1       -1.62183   0.00146   0.85165   0.00000   0.85151  -0.77033
    D2        0.43372  -0.00069   0.83231   0.00000   0.83224   1.26596
    D3        2.51029   0.00185   0.83755   0.00000   0.83776  -2.93514
    D4       -0.39150   0.00023  -0.39345   0.00000  -0.39349  -0.78500
    D5       -2.59468  -0.00013  -0.37518   0.00000  -0.37522  -2.96991
    D6        1.71487  -0.00273  -0.39767   0.00000  -0.39759   1.31728
    D7        0.44801  -0.00022   0.04478   0.00000   0.04479   0.49280
    D8        2.56211   0.00105   0.05438   0.00000   0.05438   2.61649
    D9       -1.69575  -0.00075   0.05244   0.00000   0.05244  -1.64331
   D10        3.06583  -0.00137  -0.00959   0.00000  -0.00959   3.05624
   D11        0.80921  -0.00113  -0.00942   0.00000  -0.00942   0.79979
   D12       -1.16750  -0.00055  -0.00297   0.00000  -0.00297  -1.17047
   D13       -1.12288  -0.00088  -0.00257   0.00000  -0.00258  -1.12546
   D14        2.90368  -0.00064  -0.00241   0.00000  -0.00240   2.90128
   D15        0.92697  -0.00006   0.00404   0.00000   0.00404   0.93101
   D16        1.01946  -0.00007   0.00009   0.00000   0.00009   1.01955
   D17       -1.23716   0.00017   0.00025   0.00000   0.00026  -1.23690
   D18        3.06932   0.00075   0.00670   0.00000   0.00671   3.07602
   D19        1.45165  -0.00215  -0.03639   0.00000  -0.03636   1.41529
   D20       -0.70651   0.00127   0.01122   0.00000   0.01121  -0.69530
   D21       -2.85282   0.00253   0.01281   0.00000   0.01284  -2.83998
   D22       -0.56220  -0.00270  -0.03998   0.00000  -0.03995  -0.60215
   D23       -2.72036   0.00072   0.00763   0.00000   0.00762  -2.71274
   D24        1.41651   0.00199   0.00922   0.00000   0.00925   1.42577
   D25       -2.73929  -0.00303  -0.03784   0.00000  -0.03782  -2.77711
   D26        1.38573   0.00039   0.00977   0.00000   0.00975   1.39549
   D27       -0.76057   0.00165   0.01136   0.00000   0.01138  -0.74919
   D28        0.95387  -0.00014   0.00509   0.00000   0.00508   0.95895
   D29       -1.21667  -0.00041   0.01754   0.00000   0.01755  -1.19912
   D30        3.04770  -0.00020   0.00587   0.00000   0.00587   3.05357
   D31        2.87673  -0.00009   0.01115   0.00000   0.01115   2.88788
   D32        0.70619  -0.00036   0.02360   0.00000   0.02362   0.72981
   D33       -1.31263  -0.00015   0.01193   0.00000   0.01194  -1.30069
   D34       -1.22756  -0.00043   0.00286   0.00000   0.00286  -1.22470
   D35        2.88509  -0.00071   0.01530   0.00000   0.01532   2.90041
   D36        0.86627  -0.00049   0.00364   0.00000   0.00364   0.86991
   D37        0.88235  -0.00074   0.07920   0.00000   0.07921   0.96155
   D38        2.98311  -0.00075   0.08016   0.00000   0.08016   3.06327
   D39       -1.25988  -0.00039   0.09055   0.00000   0.09056  -1.16933
   D40       -1.05308   0.00042   0.08127   0.00000   0.08126  -0.97182
   D41        1.04768   0.00041   0.08222   0.00000   0.08222   1.12989
   D42        3.08787   0.00078   0.09261   0.00000   0.09261  -3.10270
   D43        3.00868   0.00009   0.08093   0.00000   0.08093   3.08961
   D44       -1.17374   0.00007   0.08189   0.00000   0.08189  -1.09186
   D45        0.86645   0.00044   0.09228   0.00000   0.09228   0.95873
   D46        1.06030   0.00037   0.01165   0.00000   0.01165   1.07195
   D47       -3.07544  -0.00025   0.01297   0.00000   0.01298  -3.06246
   D48       -0.98935   0.00017   0.01953   0.00000   0.01954  -0.96981
   D49       -3.11898   0.00067   0.01328   0.00000   0.01328  -3.10571
   D50       -0.97154   0.00004   0.01461   0.00000   0.01460  -0.95694
   D51        1.11455   0.00047   0.02117   0.00000   0.02116   1.13571
   D52       -1.01235   0.00078   0.01109   0.00000   0.01109  -1.00126
   D53        1.13509   0.00015   0.01242   0.00000   0.01241   1.14751
   D54       -3.06200   0.00058   0.01898   0.00000   0.01897  -3.04303
   D55       -0.60082  -0.00034   0.00360   0.00000   0.00359  -0.59723
   D56        1.48724  -0.00013   0.00919   0.00000   0.00918   1.49643
   D57       -2.73153   0.00002   0.01610   0.00000   0.01610  -2.71543
   D58       -2.77274   0.00045   0.00588   0.00000   0.00586  -2.76688
   D59       -0.68468   0.00066   0.01146   0.00000   0.01145  -0.67322
   D60        1.37974   0.00081   0.01838   0.00000   0.01838   1.39811
   D61        1.40354  -0.00081   0.00054   0.00000   0.00053   1.40406
   D62       -2.79158  -0.00059   0.00612   0.00000   0.00612  -2.78547
   D63       -0.72717  -0.00044   0.01304   0.00000   0.01304  -0.71413
   D64        1.13058   0.00006  -0.01277   0.00000  -0.01276   1.11781
   D65       -0.84555  -0.00139  -0.02042   0.00000  -0.02043  -0.86598
   D66        3.11256   0.00157  -0.00489   0.00000  -0.00490   3.10766
   D67       -1.00538  -0.00061  -0.01547   0.00000  -0.01545  -1.02083
   D68       -2.98151  -0.00206  -0.02312   0.00000  -0.02312  -3.00463
   D69        0.97660   0.00090  -0.00759   0.00000  -0.00759   0.96901
   D70       -3.08361  -0.00009  -0.01791   0.00000  -0.01790  -3.10150
   D71        1.22345  -0.00154  -0.02556   0.00000  -0.02556   1.19788
   D72       -1.10163   0.00142  -0.01003   0.00000  -0.01003  -1.11166
   D73       -3.05312   0.00058  -0.00063   0.00000  -0.00064  -3.05376
   D74        1.10171   0.00059   0.00058   0.00000   0.00056   1.10228
   D75       -0.91493   0.00039  -0.00136   0.00000  -0.00137  -0.91630
   D76       -0.93136  -0.00018  -0.00056   0.00000  -0.00055  -0.93191
   D77       -3.05972  -0.00017   0.00065   0.00000   0.00066  -3.05906
   D78        1.20683  -0.00037  -0.00129   0.00000  -0.00128   1.20555
   D79        1.13622  -0.00010  -0.00387   0.00000  -0.00387   1.13235
   D80       -0.99214  -0.00009  -0.00266   0.00000  -0.00266  -0.99480
   D81       -3.00878  -0.00029  -0.00460   0.00000  -0.00460  -3.01338
   D82        2.89059  -0.00371   0.03349   0.00000   0.03352   2.92411
   D83       -1.30112  -0.00021   0.01520   0.00000   0.01517  -1.28594
   D84        0.82017   0.00003   0.02894   0.00000   0.02896   0.84913
   D85       -1.37030  -0.00324   0.04281   0.00000   0.04286  -1.32744
   D86        0.72118   0.00026   0.02452   0.00000   0.02452   0.74570
   D87        2.84247   0.00049   0.03826   0.00000   0.03830   2.88077
   D88        0.91019  -0.00304   0.03458   0.00000   0.03460   0.94479
   D89        3.00167   0.00046   0.01629   0.00000   0.01625   3.01792
   D90       -1.16023   0.00069   0.03004   0.00000   0.03003  -1.13019
   D91        1.04060   0.00029   0.02646   0.00000   0.02646   1.06706
   D92        3.09266   0.00136   0.02913   0.00000   0.02913   3.12180
   D93       -1.09420  -0.00028   0.02419   0.00000   0.02419  -1.07000
   D94       -0.97059  -0.00012   0.01314   0.00000   0.01314  -0.95745
   D95        1.08148   0.00095   0.01581   0.00000   0.01581   1.09728
   D96       -3.10538  -0.00069   0.01087   0.00000   0.01087  -3.09452
   D97        3.00246  -0.00057   0.02936   0.00000   0.02936   3.03182
   D98       -1.22866   0.00049   0.03203   0.00000   0.03202  -1.19663
   D99        0.86767  -0.00114   0.02710   0.00000   0.02709   0.89476
   D100      -1.76947   0.00401  -0.00349   0.00000  -0.00342  -1.77289
   D101       0.38987   0.00430  -0.00269   0.00000  -0.00264   0.38723
   D102       2.48321   0.00445  -0.00334   0.00000  -0.00329   2.47992
   D103       0.35627  -0.00143  -0.00887   0.00000  -0.00888   0.34740
   D104       2.51561  -0.00114  -0.00807   0.00000  -0.00810   2.50752
   D105      -1.67423  -0.00100  -0.00871   0.00000  -0.00875  -1.68298
   D106       2.55550  -0.00344  -0.02248   0.00000  -0.02245   2.53305
   D107      -1.56834  -0.00315  -0.02168   0.00000  -0.02167  -1.59001
   D108       0.52500  -0.00300  -0.02233   0.00000  -0.02232   0.50268
   D109      -2.91519  -0.00069   0.07319   0.00000   0.07325  -2.84195
   D110       0.19687  -0.00047   0.07798   0.00000   0.07803   0.27490
   D111       1.27645   0.00110   0.03557   0.00000   0.03555   1.31200
   D112      -1.89467   0.00132   0.04036   0.00000   0.04033  -1.85434
   D113      -0.80285   0.00110   0.04071   0.00000   0.04069  -0.76216
   D114       2.30922   0.00132   0.04551   0.00000   0.04547   2.35468
   D115       0.14915   0.00071   0.00178   0.00000   0.00179   0.15094
   D116      -2.00105  -0.00063   0.00278   0.00000   0.00279  -1.99826
   D117       2.17147  -0.00035  -0.00270   0.00000  -0.00269   2.16878
   D118      -1.94872   0.00056  -0.00650   0.00000  -0.00650  -1.95522
   D119       2.18427  -0.00078  -0.00550   0.00000  -0.00550   2.17877
   D120       0.07360  -0.00050  -0.01098   0.00000  -0.01098   0.06262
   D121       2.27522   0.00055  -0.01038   0.00000  -0.01038   2.26484
   D122       0.12502  -0.00079  -0.00938   0.00000  -0.00938   0.11564
   D123      -1.98565  -0.00051  -0.01486   0.00000  -0.01486  -2.00051
   D124       1.44407  -0.00216  -0.06048   0.00000  -0.06043   1.38363
   D125      -0.77951   0.00128  -0.01643   0.00000  -0.01643  -0.79594
   D126      -2.90696   0.00066  -0.02744   0.00000  -0.02744  -2.93440
   D127      -2.64647  -0.00349  -0.07890   0.00000  -0.07886  -2.72533
   D128       1.41314  -0.00005  -0.03486   0.00000  -0.03486   1.37828
   D129      -0.71431  -0.00067  -0.04586   0.00000  -0.04587  -0.76018
   D130      -0.66602  -0.00233  -0.06414   0.00000  -0.06411  -0.73013
   D131      -2.88960   0.00111  -0.02009   0.00000  -0.02010  -2.90971
   D132       1.26613   0.00049  -0.03110   0.00000  -0.03111   1.23502
   D133       1.17120   0.00076  -0.03423   0.00000  -0.03423   1.13697
   D134      -3.01946   0.00034  -0.02894   0.00000  -0.02894  -3.04839
   D135      -0.90013  -0.00046  -0.03188   0.00000  -0.03187  -0.93200
   D136      -3.02280   0.00007  -0.03376   0.00000  -0.03377  -3.05657
   D137      -0.93027  -0.00034  -0.02847   0.00000  -0.02848  -0.95875
   D138       1.18906  -0.00115  -0.03141   0.00000  -0.03142   1.15764
   D139      -0.91358   0.00045  -0.02902   0.00000  -0.02902  -0.94260
   D140       1.17895   0.00003  -0.02374   0.00000  -0.02373   1.15522
   D141      -2.98491  -0.00077  -0.02667   0.00000  -0.02667  -3.01158
   D142       0.99453  -0.00140  -0.00985   0.00000  -0.00985   0.98468
   D143      -2.16743  -0.00105  -0.00742   0.00000  -0.00743  -2.17486
   D144      -1.13296   0.00003  -0.00871   0.00000  -0.00871  -1.14167
   D145       1.98827   0.00039  -0.00628   0.00000  -0.00629   1.98198
   D146       3.09654  -0.00038  -0.00665   0.00000  -0.00665   3.08989
   D147      -0.06542  -0.00003  -0.00423   0.00000  -0.00423  -0.06965
   D148      -0.83474  -0.00022   0.00250   0.00000   0.00250  -0.83224
   D149       1.29590  -0.00090  -0.01019   0.00000  -0.01019   1.28570
   D150      -2.92968  -0.00044   0.00230   0.00000   0.00230  -2.92739
   D151       1.22838  -0.00039   0.00379   0.00000   0.00379   1.23217
   D152      -2.92416  -0.00106  -0.00890   0.00000  -0.00890  -2.93306
   D153      -0.86656  -0.00060   0.00359   0.00000   0.00359  -0.86297
   D154      -2.94773   0.00047   0.00424   0.00000   0.00425  -2.94348
   D155      -0.81709  -0.00020  -0.00844   0.00000  -0.00844  -0.82553
   D156       1.24052   0.00026   0.00405   0.00000   0.00405   1.24457
   D157       2.15004   0.00066   0.00648   0.00000   0.00649   2.15653
   D158      -1.00221   0.00061   0.00126   0.00000   0.00126  -1.00095
   D159       0.06527   0.00026   0.00397   0.00000   0.00397   0.06923
   D160      -3.08699   0.00021  -0.00126   0.00000  -0.00127  -3.08825
   D161      -1.97694  -0.00174   0.00207   0.00000   0.00207  -1.97487
   D162       1.15399  -0.00179  -0.00316   0.00000  -0.00316   1.15083
   D163       0.90189   0.00023   0.00669   0.00000   0.00669   0.90859
   D164      -1.23023   0.00028   0.00919   0.00000   0.00919  -1.22104
   D165       3.04971   0.00017   0.00617   0.00000   0.00617   3.05589
   D166       3.03406  -0.00019   0.00412   0.00000   0.00413   3.03818
   D167       0.90194  -0.00014   0.00662   0.00000   0.00662   0.90856
   D168      -1.10131  -0.00025   0.00361   0.00000   0.00361  -1.09770
   D169      -1.24594   0.00022   0.00834   0.00000   0.00834  -1.23760
   D170       2.90513   0.00027   0.01083   0.00000   0.01083   2.91596
   D171       0.90188   0.00016   0.00782   0.00000   0.00782   0.90970
   D172      -0.96693   0.00058  -0.00243   0.00000  -0.00243  -0.96936
   D173       2.19488   0.00023  -0.00484   0.00000  -0.00485   2.19003
   D174       1.17516   0.00019  -0.00538   0.00000  -0.00538   1.16977
   D175      -1.94622  -0.00016  -0.00780   0.00000  -0.00780  -1.95402
   D176      -3.09964   0.00060  -0.00146   0.00000  -0.00147  -3.10111
   D177       0.06217   0.00025  -0.00388   0.00000  -0.00389   0.05828
   D178       0.00074   0.00043   0.01185   0.00000   0.01185   0.01259
   D179      -3.13961   0.00002   0.00313   0.00000   0.00313  -3.13648
   D180       3.12062   0.00081   0.01447   0.00000   0.01447   3.13509
   D181      -0.01973   0.00039   0.00574   0.00000   0.00575  -0.01398
   D182      -0.21349   0.00036  -0.03284   0.00000  -0.03283  -0.24632
   D183      -2.26713   0.00072  -0.02913   0.00000  -0.02914  -2.29627
   D184       1.92342  -0.00083  -0.04068   0.00000  -0.04067   1.88275
   D185       2.95766   0.00005  -0.03796   0.00000  -0.03796   2.91970
   D186       0.90402   0.00040  -0.03425   0.00000  -0.03427   0.86975
   D187      -1.18862  -0.00114  -0.04580   0.00000  -0.04580  -1.23442
   D188      -0.00012  -0.00085  -0.01107   0.00000  -0.01107  -0.01119
   D189       3.13301  -0.00016  -0.00404   0.00000  -0.00404   3.12897
   D190      -3.13053  -0.00078  -0.00553   0.00000  -0.00553  -3.13607
   D191       0.00260  -0.00009   0.00150   0.00000   0.00150   0.00410
   D192      -3.12037   0.00085   0.02041   0.00000   0.02041  -3.09996
   D193       0.06736  -0.00101  -0.01759   0.00000  -0.01759   0.04977
   D194       0.02007   0.00124   0.02848   0.00000   0.02848   0.04855
   D195      -3.07538  -0.00063  -0.00953   0.00000  -0.00952  -3.08491
   D196       3.11957  -0.00066  -0.02055   0.00000  -0.02056   3.09901
   D197      -0.06769   0.00118   0.01706   0.00000   0.01706  -0.05063
   D198      -0.01421  -0.00130  -0.02705   0.00000  -0.02706  -0.04127
   D199       3.08172   0.00054   0.01056   0.00000   0.01056   3.09228
         Item               Value     Threshold  Converged?
 Maximum Force            0.008674     0.000450     NO 
 RMS     Force            0.001668     0.000300     NO 
 Maximum Displacement     0.966421     0.001800     NO 
 RMS     Displacement     0.078798     0.001200     NO 
 Predicted change in Energy=-7.143388D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C22H29FO5
 Framework group  C1[X(C22H29FO5)]
 Deg. of freedom   165
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          9           0        1.531378    0.000845   -1.372840
      2          8           0       -3.025273    0.228895   -1.774423
      3          8           0        0.353441   -2.266933    1.182175
      4          8           0       -4.739202   -0.326234    1.170504
      5          8           0       -5.785285   -2.238200   -0.426273
      6          8           0        6.456766   -0.184091   -1.496948
      7          6           0       -1.637433   -0.152249    0.262380
      8          6           0       -0.744650    1.102845    0.008133
      9          6           0        0.647294    0.928482    0.627518
     10          6           0        1.348341   -0.293759   -0.037025
     11          6           0       -2.988307    0.355208   -0.345651
     12          6           0       -1.625149    2.278476    0.464390
     13          6           0       -1.010255   -1.348281   -0.468475
     14          6           0       -3.074312    1.855976    0.101648
     15          6           0        0.459746   -1.587453   -0.075574
     16          6           0        2.804246   -0.489049    0.528440
     17          6           0        1.476468    2.212728    0.468198
     18          6           0       -1.831408   -0.482594    1.741623
     19          6           0        2.915822    2.036512    0.964974
     20          6           0        3.558193    0.831796    0.339234
     21          6           0       -4.235231   -0.434320    0.073880
     22          6           0       -3.700526    2.735539   -0.968392
     23          6           0        2.832296   -0.803677    2.036551
     24          6           0        3.476081   -1.647581   -0.191762
     25          6           0        4.722515    0.911579   -0.319750
     26          6           0       -4.828131   -1.342313   -0.981386
     27          6           0        4.635255   -1.545015   -0.844256
     28          6           0        5.382223   -0.257748   -0.938656
     29          1           0       -0.602367    1.226617   -1.096800
     30          1           0        0.541013    0.698996    1.717578
     31          1           0       -1.532893    2.461527    1.546695
     32          1           0       -1.333219    3.221679   -0.033407
     33          1           0       -1.086058   -1.231582   -1.568140
     34          1           0       -1.579490   -2.273774   -0.226588
     35          1           0       -3.704774    1.900724    1.025329
     36          1           0        0.909378   -2.319940   -0.792169
     37          1           0        0.993402    3.040416    1.022715
     38          1           0        1.487220    2.537818   -0.593650
     39          1           0       -2.228993    0.361548    2.314369
     40          1           0       -2.526953   -1.321124    1.883980
     41          1           0       -0.888460   -0.805188    2.207956
     42          1           0        2.938795    1.940582    2.070420
     43          1           0        3.498039    2.956410    0.749320
     44          1           0       -4.750466    2.467432   -1.141417
     45          1           0       -3.672184    3.794126   -0.689162
     46          1           0       -3.193088    2.624103   -1.936396
     47          1           0        2.194894   -0.119163    2.611756
     48          1           0        2.503168   -1.832171    2.263909
     49          1           0        3.854013   -0.717924    2.436876
     50          1           0       -2.180663    0.529859   -2.176195
     51          1           0        2.950779   -2.602391   -0.132441
     52          1           0        1.241689   -2.343772    1.627843
     53          1           0        5.260885    1.852759   -0.449723
     54          1           0       -4.061913   -1.995325   -1.448858
     55          1           0       -5.304463   -0.740165   -1.781859
     56          1           0        5.112258   -2.388924   -1.347804
     57          1           0       -6.203987   -1.828874    0.374904
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.4246894      0.1018915      0.0944249
 Standard basis: VSTO-6G (5D, 7F)
 There are   141 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   141 basis functions,   846 primitive gaussians,   141 cartesian basis functions
    77 alpha electrons       77 beta electrons
       nuclear repulsion energy      1658.4387352590 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   141 RedAO= F  NBF=   141
 NBsUse=   141 1.00D-04 NBFU=   141
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=982442.
 SCF Done:  E(RPM6) = -0.415471539499     A.U. after   15 cycles
             Convg  =    0.5355D-08             -V/T =  0.9987
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        9           0.000089221    0.000584385   -0.000497553
      2        8           0.003788218    0.001161588    0.001120036
      3        8           0.006261879   -0.002720392   -0.003604695
      4        8           0.000425932    0.000104747    0.002121705
      5        8          -0.000876358   -0.000322905   -0.000598350
      6        8           0.000301318    0.000012267   -0.000337865
      7        6           0.003297540    0.002143568    0.002465227
      8        6           0.000542278   -0.000048657   -0.000625104
      9        6          -0.000336145    0.000212806   -0.000856544
     10        6          -0.001386491   -0.000082194   -0.001452814
     11        6          -0.004397088   -0.002024191   -0.000941009
     12        6           0.001623066   -0.001779091    0.001460898
     13        6          -0.000529673    0.000193691    0.001735249
     14        6           0.000699975   -0.000778120   -0.000017185
     15        6          -0.001474541   -0.000475025    0.001661586
     16        6           0.001208468    0.000954345    0.000311047
     17        6           0.000792030   -0.000461213    0.000485511
     18        6          -0.000418435   -0.000298079   -0.000542738
     19        6          -0.000497035    0.000047546    0.000552479
     20        6          -0.000023954    0.001027680    0.000336508
     21        6          -0.000326564   -0.000749199   -0.005134443
     22        6          -0.000173427    0.000060981    0.001299827
     23        6          -0.000044768    0.001111865    0.000102629
     24        6          -0.000027008   -0.001359083   -0.000358041
     25        6           0.000135184   -0.000568734   -0.000908365
     26        6           0.001063953    0.002097555    0.000921914
     27        6           0.000061216    0.000043404   -0.000848088
     28        6          -0.000546326    0.000256471    0.001565067
     29        1          -0.000920623    0.000607981    0.001079619
     30        1           0.000031648    0.000125032   -0.000389190
     31        1           0.000067671   -0.000212175   -0.000526091
     32        1          -0.000573638    0.001634298   -0.000936668
     33        1          -0.000336509   -0.000175196   -0.000637688
     34        1           0.000097655    0.000166580   -0.000026737
     35        1          -0.000086572   -0.000083794   -0.000214360
     36        1           0.001038595    0.000001070    0.000138415
     37        1          -0.000263749   -0.000004928   -0.000282786
     38        1           0.000183589    0.000210119   -0.000488896
     39        1          -0.000001314    0.000220159   -0.000223067
     40        1          -0.000176478   -0.000049882   -0.000037990
     41        1           0.000084534   -0.000177687    0.000215067
     42        1          -0.000173333    0.000055186   -0.000420723
     43        1           0.000076069   -0.000392024    0.000402716
     44        1          -0.000324136    0.000012224   -0.000185510
     45        1          -0.000073539   -0.000136531   -0.000012717
     46        1          -0.000182515   -0.001080031   -0.000357593
     47        1           0.000083823   -0.000026823    0.000004611
     48        1          -0.000517704   -0.000674382    0.000704874
     49        1          -0.000284305   -0.000042032    0.000498589
     50        1          -0.000355654   -0.001533822   -0.000160128
     51        1          -0.000509366    0.000022253   -0.000318925
     52        1          -0.003580605    0.001858750    0.001680011
     53        1          -0.000044676    0.000145434   -0.000050516
     54        1          -0.000480448    0.000450655    0.000385128
     55        1          -0.001108400    0.000164262    0.000853971
     56        1          -0.000317524   -0.000207125   -0.000085676
     57        1          -0.000584966    0.000776412   -0.000024628
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.006261879 RMS     0.001183715

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.003890098 RMS     0.000666994
 Search for a local minimum.
 Step number  16 out of a maximum of  342
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Update second derivatives using D2CorX and points   14   16
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.00098   0.00225   0.00242   0.00272   0.00285
     Eigenvalues ---    0.00427   0.00450   0.00519   0.00599   0.00612
     Eigenvalues ---    0.00689   0.00713   0.01202   0.01282   0.01390
     Eigenvalues ---    0.01421   0.01461   0.01567   0.01638   0.01714
     Eigenvalues ---    0.01767   0.02099   0.02229   0.02304   0.02472
     Eigenvalues ---    0.03050   0.03267   0.03573   0.03756   0.03853
     Eigenvalues ---    0.03958   0.04091   0.04266   0.04431   0.04550
     Eigenvalues ---    0.04678   0.04798   0.04822   0.04972   0.04997
     Eigenvalues ---    0.05036   0.05137   0.05161   0.05316   0.05332
     Eigenvalues ---    0.05381   0.05396   0.05485   0.05518   0.05586
     Eigenvalues ---    0.05780   0.05911   0.06079   0.06258   0.06649
     Eigenvalues ---    0.06895   0.07025   0.07107   0.07152   0.07358
     Eigenvalues ---    0.07731   0.08044   0.08246   0.08304   0.08394
     Eigenvalues ---    0.08419   0.09110   0.09241   0.10295   0.10662
     Eigenvalues ---    0.11236   0.11880   0.12121   0.13017   0.13660
     Eigenvalues ---    0.13800   0.14548   0.14985   0.15061   0.15661
     Eigenvalues ---    0.15893   0.15990   0.15994   0.15998   0.16000
     Eigenvalues ---    0.16000   0.16001   0.16004   0.16027   0.16039
     Eigenvalues ---    0.16098   0.16183   0.16546   0.17375   0.17586
     Eigenvalues ---    0.17752   0.18408   0.19260   0.19904   0.21166
     Eigenvalues ---    0.21908   0.22396   0.22945   0.23326   0.24356
     Eigenvalues ---    0.24820   0.24972   0.25453   0.26126   0.26443
     Eigenvalues ---    0.26594   0.27445   0.27764   0.27895   0.28187
     Eigenvalues ---    0.28451   0.28799   0.29218   0.29419   0.29842
     Eigenvalues ---    0.30459   0.31063   0.32221   0.32689   0.33232
     Eigenvalues ---    0.33531   0.33769   0.33872   0.33923   0.33998
     Eigenvalues ---    0.34016   0.34077   0.34098   0.34105   0.34123
     Eigenvalues ---    0.34221   0.34233   0.34258   0.34270   0.34291
     Eigenvalues ---    0.34295   0.34348   0.34364   0.34398   0.34461
     Eigenvalues ---    0.34633   0.34893   0.35063   0.35115   0.35395
     Eigenvalues ---    0.35556   0.35846   0.37981   0.41332   0.42473
     Eigenvalues ---    0.44149   0.48112   0.52087   0.52751   0.53491
     Eigenvalues ---    0.54223   0.57437   0.59248   0.88889   0.92229
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.00000
 RFO step:  Lambda=-9.31924422D-04 EMin= 9.83018024D-04
 Quartic linear search produced a step of  0.14231.
 Iteration  1 RMS(Cart)=  0.02442183 RMS(Int)=  0.00083534
 Iteration  2 RMS(Cart)=  0.00089495 RMS(Int)=  0.00002171
 Iteration  3 RMS(Cart)=  0.00000261 RMS(Int)=  0.00002164
 Iteration  4 RMS(Cart)=  0.00000000 RMS(Int)=  0.00002164
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.60803  -0.00057   0.00000  -0.00075  -0.00075   2.60728
    R2        2.71142   0.00089  -0.00032  -0.00501  -0.00533   2.70609
    R3        1.85671   0.00010  -0.00025  -0.00070  -0.00095   1.85576
    R4        2.70892   0.00114  -0.00007   0.00296   0.00289   2.71181
    R5        1.88358  -0.00389   0.00067  -0.00490  -0.00423   1.87936
    R6        2.28981  -0.00209  -0.00001  -0.00236  -0.00237   2.28744
    R7        2.69039   0.00151  -0.00017  -0.00047  -0.00064   2.68975
    R8        1.87525  -0.00006  -0.00026  -0.00323  -0.00349   1.87177
    R9        2.29254   0.00012   0.00004   0.00075   0.00079   2.29333
   R10        2.95001  -0.00024   0.00019   0.00177   0.00197   2.95198
   R11        2.95914   0.00138  -0.00038   0.00044   0.00005   2.95920
   R12        2.90182  -0.00002  -0.00006   0.00073   0.00067   2.90249
   R13        2.88758   0.00060   0.00003   0.00230   0.00233   2.88991
   R14        2.89785   0.00036   0.00001   0.00051   0.00052   2.89837
   R15        2.90647   0.00042   0.00010   0.00113   0.00124   2.90771
   R16        2.11821   0.00089  -0.00015   0.00066   0.00052   2.11873
   R17        2.94395  -0.00068   0.00017  -0.00040  -0.00024   2.94371
   R18        2.90441   0.00033   0.00008   0.00121   0.00129   2.90570
   R19        2.11463   0.00040  -0.00013   0.00035   0.00023   2.11485
   R20        2.96677  -0.00214   0.00000  -0.00285  -0.00286   2.96391
   R21        2.97447  -0.00107   0.00007   0.00200   0.00207   2.97654
   R22        2.96379   0.00165  -0.00006  -0.00050  -0.00056   2.96323
   R23        2.89947   0.00325   0.00025   0.00733   0.00758   2.90705
   R24        2.93374   0.00123  -0.00004   0.00212   0.00209   2.93583
   R25        2.08162   0.00056   0.00006   0.00206   0.00212   2.08374
   R26        2.08954  -0.00197   0.00014  -0.00294  -0.00281   2.08674
   R27        2.91072   0.00073   0.00006   0.00088   0.00093   2.91165
   R28        2.09464  -0.00061  -0.00020  -0.00062  -0.00082   2.09382
   R29        2.10352   0.00010   0.00008   0.00004   0.00011   2.10364
   R30        2.87261   0.00147   0.00006   0.00234   0.00239   2.87500
   R31        2.11503   0.00023  -0.00011  -0.00120  -0.00132   2.11372
   R32        2.11465   0.00053   0.00024   0.00237   0.00261   2.11726
   R33        2.89620  -0.00042   0.00001  -0.00179  -0.00181   2.89438
   R34        2.91176  -0.00124   0.00008  -0.00023  -0.00014   2.91162
   R35        2.87353  -0.00195   0.00009  -0.00146  -0.00140   2.87213
   R36        2.89664  -0.00036   0.00004   0.00000   0.00004   2.89667
   R37        2.09232   0.00025  -0.00004   0.00017   0.00013   2.09245
   R38        2.09863  -0.00052   0.00006  -0.00048  -0.00042   2.09821
   R39        2.06896  -0.00007  -0.00004  -0.00015  -0.00019   2.06877
   R40        2.07628   0.00008   0.00009   0.00039   0.00048   2.07676
   R41        2.07929  -0.00007  -0.00011  -0.00048  -0.00059   2.07870
   R42        2.83807   0.00043  -0.00003   0.00004   0.00001   2.83808
   R43        2.09729   0.00042  -0.00004   0.00066   0.00061   2.09790
   R44        2.09725   0.00046  -0.00003   0.00056   0.00053   2.09778
   R45        2.53271  -0.00015   0.00000   0.00043   0.00044   2.53315
   R46        2.85941   0.00380  -0.00039   0.00379   0.00340   2.86281
   R47        2.07370   0.00028   0.00005   0.00065   0.00070   2.07441
   R48        2.06956   0.00014   0.00003   0.00022   0.00025   2.06981
   R49        2.07607  -0.00054  -0.00015  -0.00176  -0.00191   2.07417
   R50        2.07500  -0.00004  -0.00001  -0.00033  -0.00034   2.07467
   R51        2.08540  -0.00066   0.00030  -0.00029   0.00000   2.08540
   R52        2.08000  -0.00044   0.00009  -0.00099  -0.00090   2.07910
   R53        2.52118  -0.00051   0.00005   0.00031   0.00035   2.52153
   R54        2.06242   0.00028   0.00000  -0.00002  -0.00002   2.06240
   R55        2.79372   0.00031  -0.00005  -0.00058  -0.00060   2.79312
   R56        2.06366  -0.00016   0.00003  -0.00018  -0.00015   2.06351
   R57        2.09755   0.00007   0.00037   0.00103   0.00140   2.09895
   R58        2.09600   0.00104  -0.00012   0.00078   0.00067   2.09667
   R59        2.81812  -0.00011  -0.00006  -0.00086  -0.00089   2.81723
   R60        2.06428  -0.00035   0.00003  -0.00070  -0.00067   2.06361
    A1        1.93701  -0.00081  -0.00075  -0.00774  -0.00849   1.92851
    A2        1.94202   0.00200   0.00050   0.00726   0.00776   1.94978
    A3        1.91654   0.00180  -0.00010   0.00131   0.00121   1.91775
    A4        1.74120  -0.00023  -0.00013  -0.00342  -0.00356   1.73764
    A5        1.89138   0.00028   0.00001   0.00244   0.00245   1.89382
    A6        1.98677  -0.00009  -0.00005   0.00034   0.00030   1.98706
    A7        2.00418   0.00035  -0.00024   0.00068   0.00045   2.00463
    A8        1.91393  -0.00023   0.00048   0.00246   0.00295   1.91688
    A9        1.92220  -0.00008  -0.00008  -0.00244  -0.00252   1.91968
   A10        1.94112  -0.00041   0.00020   0.00110   0.00129   1.94241
   A11        1.81196   0.00067  -0.00019  -0.00011  -0.00030   1.81166
   A12        1.89855  -0.00049   0.00009  -0.00619  -0.00610   1.89245
   A13        2.07915  -0.00045   0.00001  -0.00307  -0.00304   2.07610
   A14        1.87076   0.00082  -0.00040   0.00495   0.00456   1.87532
   A15        1.85531  -0.00021   0.00032   0.00257   0.00288   1.85819
   A16        1.90221  -0.00036   0.00009  -0.00146  -0.00137   1.90084
   A17        1.93138   0.00049  -0.00014   0.00221   0.00208   1.93346
   A18        1.90770   0.00003   0.00005   0.00135   0.00140   1.90910
   A19        1.94827  -0.00021  -0.00003  -0.00172  -0.00175   1.94652
   A20        1.87274   0.00018   0.00025   0.00179   0.00204   1.87478
   A21        1.90031  -0.00012  -0.00021  -0.00212  -0.00233   1.89797
   A22        1.88083  -0.00012  -0.00041  -0.00161  -0.00202   1.87881
   A23        1.80000  -0.00004  -0.00031  -0.00265  -0.00296   1.79704
   A24        1.82506   0.00020   0.00004   0.00211   0.00215   1.82721
   A25        1.98480   0.00076   0.00050   0.00391   0.00440   1.98920
   A26        1.93942   0.00048  -0.00036  -0.00011  -0.00048   1.93894
   A27        2.01541  -0.00132   0.00044  -0.00206  -0.00161   2.01380
   A28        1.96097  -0.00170  -0.00079  -0.01415  -0.01492   1.94606
   A29        1.94639  -0.00030   0.00226   0.00185   0.00406   1.95045
   A30        1.77832   0.00200  -0.00172   0.01279   0.01102   1.78934
   A31        1.82003   0.00048  -0.00003   0.00025   0.00020   1.82023
   A32        2.01325  -0.00072   0.00067  -0.00286  -0.00216   2.01108
   A33        1.94964   0.00017  -0.00025   0.00195   0.00169   1.95133
   A34        1.83077   0.00026  -0.00009   0.00011   0.00000   1.83077
   A35        1.95039  -0.00026  -0.00026  -0.00305  -0.00330   1.94709
   A36        1.94692   0.00015   0.00035   0.00368   0.00403   1.95095
   A37        1.93155   0.00009  -0.00006  -0.00112  -0.00118   1.93037
   A38        1.95347  -0.00027   0.00038   0.00328   0.00366   1.95712
   A39        1.85300   0.00002  -0.00031  -0.00283  -0.00314   1.84986
   A40        1.97070  -0.00057   0.00031  -0.00158  -0.00129   1.96941
   A41        1.94147  -0.00003   0.00052   0.00045   0.00097   1.94245
   A42        1.91271   0.00021  -0.00027   0.00002  -0.00025   1.91247
   A43        1.91206   0.00042  -0.00003   0.00043   0.00041   1.91247
   A44        1.87917   0.00009  -0.00004  -0.00007  -0.00010   1.87907
   A45        1.84226  -0.00009  -0.00057   0.00090   0.00033   1.84259
   A46        1.85029  -0.00075  -0.00003  -0.00190  -0.00195   1.84834
   A47        1.95574   0.00099   0.00009   0.00345   0.00355   1.95929
   A48        1.88023  -0.00009   0.00023   0.00073   0.00097   1.88120
   A49        1.97311   0.00005  -0.00006   0.00000  -0.00005   1.97305
   A50        1.89875   0.00029  -0.00007   0.00094   0.00088   1.89962
   A51        1.90260  -0.00049  -0.00014  -0.00314  -0.00329   1.89931
   A52        1.99437  -0.00211   0.00195  -0.00821  -0.00627   1.98810
   A53        1.79942   0.00197  -0.00050   0.00703   0.00654   1.80596
   A54        1.85604   0.00012  -0.00105   0.00071  -0.00036   1.85568
   A55        2.00257   0.00008   0.00005   0.00261   0.00265   2.00523
   A56        1.90466   0.00015  -0.00019  -0.00059  -0.00078   1.90388
   A57        1.89839  -0.00012  -0.00042  -0.00127  -0.00168   1.89671
   A58        1.87942   0.00003  -0.00003   0.00111   0.00108   1.88050
   A59        1.97555  -0.00067   0.00013  -0.00380  -0.00368   1.97187
   A60        1.91032   0.00019  -0.00009   0.00106   0.00097   1.91130
   A61        1.86278   0.00064  -0.00015   0.00422   0.00408   1.86686
   A62        1.96146   0.00004  -0.00003  -0.00113  -0.00117   1.96029
   A63        1.87544  -0.00023   0.00017  -0.00151  -0.00134   1.87410
   A64        1.95729  -0.00022   0.00008   0.00010   0.00018   1.95747
   A65        1.91489  -0.00011   0.00007  -0.00060  -0.00053   1.91436
   A66        1.92723   0.00015   0.00004   0.00069   0.00073   1.92797
   A67        1.91061   0.00020  -0.00004   0.00002  -0.00001   1.91060
   A68        1.91181  -0.00008  -0.00004  -0.00038  -0.00042   1.91139
   A69        1.83823   0.00007  -0.00013   0.00016   0.00003   1.83825
   A70        1.96691   0.00047  -0.00011  -0.00007  -0.00018   1.96673
   A71        1.95065   0.00003  -0.00006   0.00069   0.00062   1.95127
   A72        1.94430  -0.00043   0.00018   0.00014   0.00032   1.94462
   A73        1.86582  -0.00024   0.00006   0.00132   0.00138   1.86720
   A74        1.89183  -0.00006   0.00038   0.00059   0.00097   1.89279
   A75        1.83780   0.00021  -0.00046  -0.00279  -0.00324   1.83456
   A76        1.93780   0.00007   0.00003   0.00276   0.00279   1.94059
   A77        1.93070  -0.00019   0.00008  -0.00004   0.00004   1.93074
   A78        1.91171  -0.00011   0.00002  -0.00161  -0.00158   1.91013
   A79        1.91432   0.00005   0.00004  -0.00041  -0.00037   1.91395
   A80        1.93857   0.00003  -0.00001  -0.00130  -0.00131   1.93727
   A81        1.82795   0.00016  -0.00017   0.00042   0.00025   1.82820
   A82        2.01471  -0.00006  -0.00009   0.00087   0.00078   2.01549
   A83        2.14048   0.00017   0.00002   0.00072   0.00073   2.14122
   A84        2.12785  -0.00012   0.00007  -0.00164  -0.00155   2.12629
   A85        2.14072  -0.00109  -0.00043  -0.00358  -0.00401   2.13670
   A86        2.11966  -0.00173   0.00066  -0.00163  -0.00098   2.11868
   A87        2.02253   0.00281  -0.00023   0.00506   0.00481   2.02735
   A88        1.94311  -0.00025  -0.00006  -0.00117  -0.00123   1.94188
   A89        1.94889  -0.00022  -0.00008  -0.00280  -0.00288   1.94602
   A90        1.95117   0.00100   0.00052   0.00637   0.00690   1.95807
   A91        1.87667   0.00000  -0.00013  -0.00061  -0.00074   1.87593
   A92        1.85274   0.00001  -0.00015   0.00130   0.00114   1.85387
   A93        1.88678  -0.00057  -0.00013  -0.00319  -0.00332   1.88345
   A94        1.95504   0.00018   0.00010   0.00033   0.00042   1.95546
   A95        1.96766  -0.00079   0.00008  -0.00316  -0.00308   1.96457
   A96        1.93582  -0.00031   0.00011   0.00104   0.00115   1.93696
   A97        1.87543   0.00016   0.00037  -0.00260  -0.00224   1.87319
   A98        1.87522   0.00014  -0.00012   0.00079   0.00067   1.87590
   A99        1.84889   0.00069  -0.00057   0.00386   0.00329   1.85218
   A100       2.16149   0.00038  -0.00001   0.00124   0.00121   2.16270
   A101       2.01324  -0.00074   0.00015  -0.00015   0.00001   2.01325
   A102       2.10834   0.00036  -0.00014  -0.00109  -0.00122   2.10712
   A103       2.14888  -0.00031  -0.00002  -0.00052  -0.00050   2.14838
   A104       2.13898   0.00017  -0.00007  -0.00071  -0.00080   2.13818
   A105       1.99530   0.00014   0.00009   0.00126   0.00133   1.99663
   A106       1.94885   0.00021   0.00044   0.00056   0.00100   1.94985
   A107       1.83185  -0.00043   0.00030  -0.00231  -0.00201   1.82984
   A108       1.91165  -0.00094   0.00004  -0.00540  -0.00536   1.90629
   A109       1.95655   0.00067  -0.00074   0.00130   0.00056   1.95712
   A110       1.92390   0.00065   0.00004   0.00171   0.00174   1.92565
   A111       1.88798  -0.00026  -0.00007   0.00390   0.00382   1.89180
   A112       2.13237   0.00010  -0.00003  -0.00096  -0.00095   2.13141
   A113       2.14773  -0.00019  -0.00003  -0.00052  -0.00058   2.14715
   A114       2.00309   0.00009   0.00006   0.00148   0.00151   2.00460
   A115       2.14110   0.00014  -0.00004   0.00021  -0.00009   2.14100
   A116       2.12374   0.00024   0.00000  -0.00020  -0.00045   2.12329
   A117       2.01832  -0.00038   0.00004  -0.00026  -0.00036   2.01795
    D1       -0.77033  -0.00081  -0.04086  -0.09133  -0.13219  -0.90252
    D2        1.26596  -0.00151  -0.03992  -0.09896  -0.13891   1.12704
    D3       -2.93514  -0.00031  -0.04013  -0.08852  -0.12862  -3.06376
    D4       -0.78500  -0.00057   0.01886  -0.02492  -0.00607  -0.79107
    D5       -2.96991  -0.00082   0.01799  -0.02827  -0.01027  -2.98017
    D6        1.31728  -0.00157   0.01908  -0.03014  -0.01106   1.30622
    D7        0.49280  -0.00005  -0.00215  -0.00358  -0.00573   0.48707
    D8        2.61649   0.00062  -0.00261  -0.00315  -0.00576   2.61073
    D9       -1.64331  -0.00035  -0.00251  -0.00238  -0.00489  -1.64820
   D10        3.05624  -0.00074   0.00046   0.00037   0.00083   3.05707
   D11        0.79979  -0.00039   0.00045   0.00357   0.00401   0.80381
   D12       -1.17047  -0.00027   0.00014   0.00325   0.00339  -1.16708
   D13       -1.12546  -0.00034   0.00012   0.00043   0.00056  -1.12490
   D14        2.90128   0.00001   0.00012   0.00363   0.00375   2.90502
   D15        0.93101   0.00012  -0.00019   0.00332   0.00312   0.93413
   D16        1.01955  -0.00030   0.00000  -0.00067  -0.00067   1.01889
   D17       -1.23690   0.00005  -0.00001   0.00253   0.00252  -1.23438
   D18        3.07602   0.00017  -0.00032   0.00222   0.00189   3.07791
   D19        1.41529  -0.00046   0.00175  -0.01404  -0.01229   1.40300
   D20       -0.69530   0.00052  -0.00054  -0.00876  -0.00930  -0.70460
   D21       -2.83998   0.00040  -0.00061  -0.00967  -0.01026  -2.85024
   D22       -0.60215  -0.00080   0.00192  -0.01516  -0.01323  -0.61539
   D23       -2.71274   0.00018  -0.00037  -0.00987  -0.01024  -2.72298
   D24        1.42577   0.00006  -0.00044  -0.01078  -0.01120   1.41456
   D25       -2.77711  -0.00077   0.00182  -0.01441  -0.01259  -2.78970
   D26        1.39549   0.00022  -0.00047  -0.00912  -0.00960   1.38589
   D27       -0.74919   0.00010  -0.00054  -0.01003  -0.01056  -0.75975
   D28        0.95895  -0.00004  -0.00025  -0.00411  -0.00435   0.95460
   D29       -1.19912  -0.00014  -0.00084  -0.00384  -0.00467  -1.20379
   D30        3.05357  -0.00015  -0.00028  -0.00521  -0.00549   3.04807
   D31        2.88788   0.00005  -0.00053  -0.00642  -0.00696   2.88093
   D32        0.72981  -0.00006  -0.00113  -0.00615  -0.00728   0.72253
   D33       -1.30069  -0.00007  -0.00057  -0.00753  -0.00810  -1.30879
   D34       -1.22470  -0.00007  -0.00014  -0.00458  -0.00472  -1.22942
   D35        2.90041  -0.00017  -0.00073  -0.00431  -0.00504   2.89537
   D36        0.86991  -0.00018  -0.00017  -0.00568  -0.00586   0.86405
   D37        0.96155  -0.00026  -0.00380  -0.01190  -0.01570   0.94585
   D38        3.06327  -0.00023  -0.00384  -0.00975  -0.01360   3.04967
   D39       -1.16933  -0.00022  -0.00434  -0.01272  -0.01707  -1.18639
   D40       -0.97182   0.00020  -0.00390  -0.00940  -0.01329  -0.98511
   D41        1.12989   0.00024  -0.00394  -0.00725  -0.01119   1.11870
   D42       -3.10270   0.00025  -0.00444  -0.01022  -0.01466  -3.11736
   D43        3.08961  -0.00002  -0.00388  -0.01031  -0.01419   3.07542
   D44       -1.09186   0.00002  -0.00393  -0.00816  -0.01209  -1.10395
   D45        0.95873   0.00003  -0.00442  -0.01113  -0.01556   0.94318
   D46        1.07195  -0.00008  -0.00056  -0.00344  -0.00400   1.06795
   D47       -3.06246  -0.00027  -0.00062  -0.00513  -0.00576  -3.06822
   D48       -0.96981  -0.00010  -0.00094  -0.00552  -0.00646  -0.97627
   D49       -3.10571   0.00014  -0.00064  -0.00502  -0.00566  -3.11137
   D50       -0.95694  -0.00005  -0.00070  -0.00671  -0.00742  -0.96436
   D51        1.13571   0.00012  -0.00102  -0.00710  -0.00812   1.12759
   D52       -1.00126   0.00023  -0.00053   0.00040  -0.00013  -1.00139
   D53        1.14751   0.00004  -0.00060  -0.00129  -0.00189   1.14562
   D54       -3.04303   0.00021  -0.00091  -0.00168  -0.00259  -3.04562
   D55       -0.59723  -0.00013  -0.00017   0.00199   0.00182  -0.59541
   D56        1.49643  -0.00001  -0.00044  -0.00093  -0.00137   1.49506
   D57       -2.71543  -0.00005  -0.00077  -0.00408  -0.00485  -2.72028
   D58       -2.76688   0.00015  -0.00028   0.00269   0.00241  -2.76447
   D59       -0.67322   0.00028  -0.00055  -0.00023  -0.00078  -0.67400
   D60        1.39811   0.00024  -0.00088  -0.00338  -0.00426   1.39385
   D61        1.40406  -0.00046  -0.00003  -0.00394  -0.00397   1.40010
   D62       -2.78547  -0.00034  -0.00029  -0.00686  -0.00715  -2.79262
   D63       -0.71413  -0.00038  -0.00062  -0.01001  -0.01064  -0.72477
   D64        1.11781  -0.00001   0.00061   0.00211   0.00272   1.12054
   D65       -0.86598  -0.00030   0.00098   0.00422   0.00520  -0.86078
   D66        3.10766   0.00042   0.00023   0.00366   0.00390   3.11155
   D67       -1.02083  -0.00023   0.00074   0.00146   0.00220  -1.01863
   D68       -3.00463  -0.00053   0.00111   0.00357   0.00468  -2.99995
   D69        0.96901   0.00020   0.00036   0.00301   0.00337   0.97239
   D70       -3.10150  -0.00007   0.00086   0.00392   0.00479  -3.09672
   D71        1.19788  -0.00036   0.00123   0.00604   0.00727   1.20515
   D72       -1.11166   0.00036   0.00048   0.00548   0.00596  -1.10570
   D73       -3.05376   0.00024   0.00003   0.00040   0.00044  -3.05332
   D74        1.10228   0.00021  -0.00003   0.00072   0.00070   1.10298
   D75       -0.91630   0.00010   0.00006   0.00049   0.00056  -0.91575
   D76       -0.93191  -0.00002   0.00003  -0.00110  -0.00107  -0.93298
   D77       -3.05906  -0.00006  -0.00003  -0.00077  -0.00081  -3.05987
   D78        1.20555  -0.00017   0.00006  -0.00101  -0.00095   1.20459
   D79        1.13235  -0.00001   0.00019  -0.00128  -0.00109   1.13126
   D80       -0.99480  -0.00005   0.00013  -0.00095  -0.00082  -0.99563
   D81       -3.01338  -0.00016   0.00022  -0.00119  -0.00097  -3.01435
   D82        2.92411  -0.00112  -0.00160  -0.00800  -0.00959   2.91452
   D83       -1.28594  -0.00004  -0.00073  -0.00291  -0.00365  -1.28959
   D84        0.84913  -0.00002  -0.00139  -0.00319  -0.00458   0.84455
   D85       -1.32744  -0.00091  -0.00204  -0.00965  -0.01169  -1.33913
   D86        0.74570   0.00017  -0.00118  -0.00456  -0.00575   0.73994
   D87        2.88077   0.00019  -0.00183  -0.00484  -0.00668   2.87409
   D88        0.94479  -0.00074  -0.00166  -0.00794  -0.00959   0.93519
   D89        3.01792   0.00035  -0.00079  -0.00285  -0.00365   3.01427
   D90       -1.13019   0.00037  -0.00144  -0.00313  -0.00458  -1.13478
   D91        1.06706   0.00011  -0.00127  -0.00183  -0.00310   1.06396
   D92        3.12180   0.00052  -0.00140   0.00189   0.00049   3.12228
   D93       -1.07000  -0.00007  -0.00116  -0.00178  -0.00293  -1.07293
   D94       -0.95745  -0.00010  -0.00063  -0.00107  -0.00170  -0.95915
   D95        1.09728   0.00031  -0.00076   0.00265   0.00189   1.09917
   D96       -3.09452  -0.00028  -0.00052  -0.00102  -0.00153  -3.09605
   D97        3.03182  -0.00044  -0.00141  -0.00470  -0.00610   3.02572
   D98       -1.19663  -0.00002  -0.00154  -0.00098  -0.00252  -1.19915
   D99        0.89476  -0.00062  -0.00130  -0.00465  -0.00593   0.88882
   D100      -1.77289   0.00144   0.00018   0.02643   0.02662  -1.74627
   D101       0.38723   0.00160   0.00014   0.02727   0.02741   0.41464
   D102       2.47992   0.00153   0.00017   0.02594   0.02612   2.50603
   D103       0.34740  -0.00047   0.00042   0.01056   0.01099   0.35838
   D104       2.50752  -0.00032   0.00038   0.01140   0.01178   2.51930
   D105      -1.68298  -0.00039   0.00041   0.01007   0.01049  -1.67249
   D106       2.53305  -0.00094   0.00108   0.00838   0.00947   2.54252
   D107      -1.59001  -0.00078   0.00104   0.00922   0.01026  -1.57975
   D108       0.50268  -0.00085   0.00107   0.00789   0.00897   0.51164
   D109      -2.84195  -0.00032  -0.00350   0.04374   0.04022  -2.80172
   D110       0.27490  -0.00027  -0.00373   0.03685   0.03310   0.30800
   D111       1.31200   0.00080  -0.00171   0.05393   0.05221   1.36421
   D112      -1.85434   0.00084  -0.00194   0.04703   0.04509  -1.80925
   D113      -0.76216   0.00056  -0.00196   0.05415   0.05221  -0.70995
   D114       2.35468   0.00060  -0.00219   0.04725   0.04509   2.39977
   D115       0.15094   0.00011  -0.00008  -0.00759  -0.00767   0.14327
   D116      -1.99826  -0.00063  -0.00013  -0.01059  -0.01072  -2.00898
   D117       2.16878  -0.00024   0.00013  -0.00726  -0.00713   2.16165
   D118      -1.95522   0.00022   0.00031  -0.00342  -0.00310  -1.95832
   D119       2.17877  -0.00052   0.00026  -0.00642  -0.00615   2.17261
   D120       0.06262  -0.00013   0.00053  -0.00309  -0.00256   0.06006
   D121       2.26484   0.00031   0.00050  -0.00124  -0.00074   2.26410
   D122       0.11564  -0.00043   0.00045  -0.00424  -0.00379   0.11185
   D123      -2.00051  -0.00004   0.00071  -0.00091  -0.00020  -2.00071
   D124       1.38363  -0.00079   0.00291   0.00271   0.00562   1.38925
   D125      -0.79594   0.00038   0.00079   0.00635   0.00714  -0.78880
   D126      -2.93440   0.00021   0.00132   0.00627   0.00759  -2.92681
   D127      -2.72533  -0.00092   0.00379   0.00247   0.00626  -2.71907
   D128       1.37828   0.00025   0.00167   0.00612   0.00779   1.38607
   D129      -0.76018   0.00008   0.00220   0.00604   0.00824  -0.75194
   D130      -0.73013  -0.00076   0.00308   0.00372   0.00680  -0.72333
   D131      -2.90971   0.00041   0.00096   0.00737   0.00833  -2.90138
   D132       1.23502   0.00024   0.00149   0.00728   0.00878   1.24380
   D133       1.13697   0.00027   0.00164  -0.01382  -0.01218   1.12480
   D134      -3.04839  -0.00005   0.00139  -0.01731  -0.01591  -3.06431
   D135      -0.93200  -0.00023   0.00153  -0.01890  -0.01737  -0.94938
   D136      -3.05657   0.00005   0.00162  -0.01379  -0.01218  -3.06875
   D137      -0.95875  -0.00028   0.00136  -0.01728  -0.01592  -0.97467
   D138       1.15764  -0.00046   0.00151  -0.01887  -0.01738   1.14026
   D139      -0.94260   0.00009   0.00139  -0.01481  -0.01342  -0.95602
   D140       1.15522  -0.00023   0.00114  -0.01830  -0.01715   1.13806
   D141      -3.01158  -0.00041   0.00128  -0.01989  -0.01861  -3.03019
   D142       0.98468  -0.00040   0.00047  -0.00505  -0.00457   0.98011
   D143      -2.17486  -0.00031   0.00036  -0.00752  -0.00716  -2.18202
   D144      -1.14167   0.00001   0.00042  -0.00352  -0.00310  -1.14477
   D145       1.98198   0.00010   0.00030  -0.00599  -0.00569   1.97629
   D146       3.08989  -0.00012   0.00032  -0.00368  -0.00336   3.08653
   D147      -0.06965  -0.00003   0.00020  -0.00615  -0.00595  -0.07560
   D148      -0.83224  -0.00018  -0.00012  -0.03299  -0.03310  -0.86534
   D149       1.28570  -0.00042   0.00049  -0.03845  -0.03795   1.24775
   D150      -2.92739  -0.00027  -0.00011  -0.03493  -0.03504  -2.96242
   D151       1.23217  -0.00012  -0.00018  -0.03106  -0.03124   1.20094
   D152      -2.93306  -0.00035   0.00043  -0.03652  -0.03609  -2.96915
   D153      -0.86297  -0.00020  -0.00017  -0.03301  -0.03317  -0.89614
   D154      -2.94348   0.00015  -0.00020  -0.03090  -0.03112  -2.97460
   D155      -0.82553  -0.00008   0.00041  -0.03637  -0.03597  -0.86150
   D156       1.24457   0.00007  -0.00019  -0.03285  -0.03305   1.21151
   D157       2.15653   0.00025  -0.00031   0.00508   0.00477   2.16130
   D158      -1.00095   0.00026  -0.00006   0.00461   0.00455  -0.99641
   D159       0.06923   0.00007  -0.00019   0.00369   0.00350   0.07274
   D160      -3.08825   0.00007   0.00006   0.00322   0.00328  -3.08497
   D161      -1.97487  -0.00059  -0.00010   0.00012   0.00002  -1.97484
   D162       1.15083  -0.00059   0.00015  -0.00035  -0.00020   1.15063
   D163       0.90859   0.00001  -0.00032  -0.00277  -0.00309   0.90550
   D164      -1.22104   0.00003  -0.00044  -0.00412  -0.00456  -1.22560
   D165       3.05589   0.00001  -0.00030  -0.00366  -0.00396   3.05192
   D166       3.03818  -0.00013  -0.00020  -0.00345  -0.00365   3.03454
   D167       0.90856  -0.00011  -0.00032  -0.00480  -0.00511   0.90344
   D168      -1.09770  -0.00012  -0.00017  -0.00435  -0.00452  -1.10222
   D169      -1.23760   0.00002  -0.00040  -0.00345  -0.00385  -1.24145
   D170       2.91596   0.00005  -0.00052  -0.00480  -0.00532   2.91064
   D171       0.90970   0.00003  -0.00038  -0.00435  -0.00473   0.90497
   D172      -0.96936   0.00017   0.00012   0.00629   0.00640  -0.96296
   D173       2.19003   0.00008   0.00023   0.00871   0.00894   2.19898
   D174       1.16977   0.00001   0.00026   0.00781   0.00807   1.17785
   D175      -1.95402  -0.00008   0.00037   0.01024   0.01061  -1.94341
   D176      -3.10111   0.00025   0.00007   0.00733   0.00740  -3.09371
   D177       0.05828   0.00015   0.00019   0.00975   0.00994   0.06822
   D178       0.01259   0.00015  -0.00057  -0.00188  -0.00244   0.01014
   D179      -3.13648   0.00002  -0.00015   0.00248   0.00233  -3.13416
   D180       3.13509   0.00025  -0.00069  -0.00448  -0.00517   3.12992
   D181      -0.01398   0.00012  -0.00028  -0.00013  -0.00040  -0.01438
   D182      -0.24632   0.00025   0.00158  -0.00341  -0.00184  -0.24816
   D183      -2.29627   0.00021   0.00140  -0.00172  -0.00033  -2.29659
   D184       1.88275  -0.00035   0.00195  -0.00872  -0.00677   1.87598
   D185       2.91970   0.00020   0.00182   0.00343   0.00525   2.92495
   D186       0.86975   0.00016   0.00164   0.00512   0.00676   0.87651
   D187      -1.23442  -0.00040   0.00220  -0.00188   0.00032  -1.23410
   D188      -0.01119  -0.00021   0.00053   0.00671   0.00724  -0.00396
   D189       3.12897   0.00000   0.00019   0.00167   0.00187   3.13084
   D190      -3.13607  -0.00020   0.00027   0.00720   0.00746  -3.12861
   D191       0.00410   0.00001  -0.00007   0.00216   0.00209   0.00619
   D192      -3.09996   0.00014  -0.00098  -0.02386  -0.02483  -3.12480
   D193       0.04977  -0.00030   0.00084   0.01205   0.01290   0.06267
   D194       0.04855   0.00026  -0.00137  -0.02788  -0.02924   0.01930
   D195      -3.08491  -0.00018   0.00046   0.00803   0.00849  -3.07642
   D196       3.09901  -0.00013   0.00099   0.02107   0.02205   3.12106
   D197      -0.05063   0.00031  -0.00082  -0.01445  -0.01527  -0.06590
   D198      -0.04127  -0.00032   0.00130   0.02571   0.02701  -0.01426
   D199       3.09228   0.00011  -0.00051  -0.00980  -0.01030   3.08198
         Item               Value     Threshold  Converged?
 Maximum Force            0.003890     0.000450     NO 
 RMS     Force            0.000667     0.000300     NO 
 Maximum Displacement     0.245712     0.001800     NO 
 RMS     Displacement     0.024266     0.001200     NO 
 Predicted change in Energy=-5.191938D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C22H29FO5
 Framework group  C1[X(C22H29FO5)]
 Deg. of freedom   165
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          9           0        1.525043   -0.000129   -1.374327
      2          8           0       -2.999363    0.234015   -1.775690
      3          8           0        0.367333   -2.259780    1.188704
      4          8           0       -4.772852   -0.297249    1.140343
      5          8           0       -5.755936   -2.280026   -0.411997
      6          8           0        6.456886   -0.201796   -1.492247
      7          6           0       -1.640217   -0.148758    0.262143
      8          6           0       -0.748809    1.107294    0.001491
      9          6           0        0.644750    0.939231    0.619666
     10          6           0        1.343756   -0.288134   -0.037243
     11          6           0       -2.989664    0.358659   -0.349157
     12          6           0       -1.629383    2.283503    0.458320
     13          6           0       -1.014318   -1.349692   -0.462489
     14          6           0       -3.080643    1.857098    0.103889
     15          6           0        0.458181   -1.582145   -0.072988
     16          6           0        2.800084   -0.482113    0.530628
     17          6           0        1.476205    2.221131    0.447262
     18          6           0       -1.831924   -0.474225    1.744032
     19          6           0        2.916238    2.047132    0.942908
     20          6           0        3.557653    0.834192    0.332241
     21          6           0       -4.237906   -0.439945    0.063919
     22          6           0       -3.719324    2.741906   -0.956212
     23          6           0        2.821055   -0.789740    2.040220
     24          6           0        3.470781   -1.646645   -0.179316
     25          6           0        4.726847    0.905312   -0.319542
     26          6           0       -4.794089   -1.393683   -0.973415
     27          6           0        4.633386   -1.553554   -0.827494
     28          6           0        5.389847   -0.272141   -0.918439
     29          1           0       -0.613818    1.222580   -1.105549
     30          1           0        0.542439    0.721174    1.712571
     31          1           0       -1.532100    2.465724    1.541467
     32          1           0       -1.340655    3.227721   -0.036115
     33          1           0       -1.094962   -1.242688   -1.562359
     34          1           0       -1.580517   -2.274249   -0.209864
     35          1           0       -3.705273    1.896406    1.030930
     36          1           0        0.908141   -2.314237   -0.791933
     37          1           0        0.995271    3.054217    0.995653
     38          1           0        1.485928    2.537323   -0.617047
     39          1           0       -2.214938    0.376345    2.317005
     40          1           0       -2.536877   -1.304271    1.891695
     41          1           0       -0.892112   -0.810463    2.206303
     42          1           0        2.941655    1.965797    2.049794
     43          1           0        3.499269    2.963498    0.713423
     44          1           0       -4.766189    2.461537   -1.130787
     45          1           0       -3.706055    3.796354   -0.660179
     46          1           0       -3.213374    2.657274   -1.926562
     47          1           0        2.208796   -0.081404    2.613554
     48          1           0        2.452690   -1.804122    2.270776
     49          1           0        3.845421   -0.738857    2.438412
     50          1           0       -2.198443    0.650141   -2.162656
     51          1           0        2.941943   -2.599273   -0.116666
     52          1           0        1.256082   -2.341080    1.627534
     53          1           0        5.267900    1.844304   -0.453457
     54          1           0       -4.009277   -2.056257   -1.396206
     55          1           0       -5.260713   -0.828165   -1.806161
     56          1           0        5.107230   -2.402576   -1.324619
     57          1           0       -6.196430   -1.851012    0.364531
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.4235366      0.1020666      0.0943918
 Standard basis: VSTO-6G (5D, 7F)
 There are   141 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   141 basis functions,   846 primitive gaussians,   141 cartesian basis functions
    77 alpha electrons       77 beta electrons
       nuclear repulsion energy      1658.3309197768 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   141 RedAO= F  NBF=   141
 NBsUse=   141 1.00D-04 NBFU=   141
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=982442.
 SCF Done:  E(RPM6) = -0.416099436178     A.U. after   14 cycles
             Convg  =    0.4568D-08             -V/T =  0.9987
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        9           0.000612603    0.000330710   -0.000052927
      2        8           0.001631895    0.001832724    0.001774417
      3        8           0.003097892   -0.002516164   -0.001857810
      4        8           0.000173398    0.000275507    0.000566614
      5        8          -0.000594562    0.000158483   -0.000455384
      6        8           0.000593923    0.000219380   -0.001972463
      7        6           0.003741337    0.002275465    0.001068935
      8        6           0.000388949    0.000081686   -0.001126622
      9        6          -0.000340284    0.000239788   -0.000614191
     10        6          -0.000859474   -0.000471105   -0.001214599
     11        6          -0.005714879   -0.000860653   -0.003003278
     12        6           0.001187884   -0.000999617    0.000676590
     13        6           0.000095654    0.000060924    0.000303134
     14        6           0.001272880   -0.001282737    0.000784075
     15        6          -0.001020367    0.000641927    0.000766504
     16        6           0.000661013    0.000878446    0.000468439
     17        6           0.000478924   -0.000225265    0.000403689
     18        6          -0.000946322   -0.000303462    0.000098585
     19        6          -0.000579455   -0.000194802    0.000595189
     20        6           0.000077750    0.000661041   -0.000000457
     21        6           0.001144789   -0.001837821   -0.001451874
     22        6          -0.000112757    0.000412308    0.000700564
     23        6           0.000275177    0.000369615    0.000216167
     24        6           0.000139729   -0.000868757    0.000036044
     25        6           0.000612972   -0.000421458   -0.002537844
     26        6           0.002234004    0.001445384    0.000695943
     27        6           0.000447338    0.000359199   -0.002604844
     28        6          -0.001791877   -0.000479341    0.005930513
     29        1          -0.000495431    0.000263083    0.000849020
     30        1          -0.000153079    0.000279242   -0.000136198
     31        1          -0.000074190   -0.000146169   -0.000155686
     32        1          -0.000525668    0.001440634   -0.000351392
     33        1          -0.000433865   -0.000391032   -0.000402601
     34        1           0.000189012    0.000058727    0.000061443
     35        1          -0.000250308    0.000056000   -0.000564966
     36        1           0.000695404   -0.000273720   -0.000304352
     37        1          -0.000238702    0.000032170   -0.000248925
     38        1           0.000118630    0.000246717   -0.000417428
     39        1           0.000081857    0.000304051   -0.000194479
     40        1          -0.000174737   -0.000311955    0.000166015
     41        1           0.000388100   -0.000283821    0.000194982
     42        1          -0.000165155    0.000136546   -0.000257658
     43        1           0.000054579   -0.000368195    0.000296706
     44        1          -0.000217551    0.000012070   -0.000214056
     45        1          -0.000127902   -0.000228347   -0.000058104
     46        1           0.000078446   -0.000722128   -0.000386750
     47        1           0.000045983   -0.000108689   -0.000016170
     48        1           0.000270037   -0.000571536   -0.000033669
     49        1          -0.000156863   -0.000134388    0.000496350
     50        1           0.000174952   -0.001336065    0.000751695
     51        1          -0.000649739    0.000075346   -0.000112377
     52        1          -0.002997820    0.001893364    0.002029947
     53        1          -0.000039876    0.000159209    0.000166208
     54        1          -0.000639325   -0.000118933    0.000370733
     55        1          -0.000482496   -0.000029194    0.000768984
     56        1          -0.000224384   -0.000153734    0.000096991
     57        1          -0.000958043    0.000439344   -0.000587373
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.005930513 RMS     0.001118134

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.003520334 RMS     0.000481414
 Search for a local minimum.
 Step number  17 out of a maximum of  342
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   16   17
 DE= -6.28D-04 DEPred=-5.19D-04 R= 1.21D+00
 SS=  1.41D+00  RLast= 3.04D-01 DXNew= 1.8622D+00 9.1251D-01
 Trust test= 1.21D+00 RLast= 3.04D-01 DXMaxT set to 1.11D+00
     Eigenvalues ---    0.00105   0.00226   0.00243   0.00274   0.00285
     Eigenvalues ---    0.00409   0.00442   0.00517   0.00559   0.00603
     Eigenvalues ---    0.00655   0.00711   0.01091   0.01252   0.01387
     Eigenvalues ---    0.01403   0.01449   0.01542   0.01641   0.01704
     Eigenvalues ---    0.01766   0.02098   0.02227   0.02306   0.02452
     Eigenvalues ---    0.03060   0.03293   0.03647   0.03772   0.03945
     Eigenvalues ---    0.04033   0.04255   0.04282   0.04421   0.04564
     Eigenvalues ---    0.04680   0.04797   0.04815   0.04969   0.05035
     Eigenvalues ---    0.05040   0.05149   0.05222   0.05294   0.05331
     Eigenvalues ---    0.05371   0.05396   0.05484   0.05506   0.05575
     Eigenvalues ---    0.05763   0.05905   0.06096   0.06307   0.06759
     Eigenvalues ---    0.06902   0.06992   0.07105   0.07126   0.07350
     Eigenvalues ---    0.07716   0.07991   0.08227   0.08305   0.08348
     Eigenvalues ---    0.08416   0.09100   0.09263   0.09496   0.10641
     Eigenvalues ---    0.11250   0.11757   0.12005   0.13032   0.13624
     Eigenvalues ---    0.13884   0.14628   0.14942   0.15038   0.15735
     Eigenvalues ---    0.15879   0.15960   0.15997   0.15999   0.16000
     Eigenvalues ---    0.16000   0.16003   0.16026   0.16034   0.16048
     Eigenvalues ---    0.16110   0.16203   0.16463   0.16710   0.17618
     Eigenvalues ---    0.18031   0.18521   0.19253   0.19995   0.21150
     Eigenvalues ---    0.21549   0.22417   0.22925   0.23518   0.24229
     Eigenvalues ---    0.24925   0.25127   0.25460   0.26163   0.26430
     Eigenvalues ---    0.26601   0.27423   0.27758   0.27892   0.28306
     Eigenvalues ---    0.28479   0.28797   0.29248   0.29495   0.29919
     Eigenvalues ---    0.30465   0.31064   0.32113   0.32489   0.33257
     Eigenvalues ---    0.33530   0.33753   0.33831   0.33920   0.33997
     Eigenvalues ---    0.34005   0.34076   0.34086   0.34107   0.34148
     Eigenvalues ---    0.34185   0.34234   0.34239   0.34274   0.34283
     Eigenvalues ---    0.34312   0.34350   0.34364   0.34397   0.34462
     Eigenvalues ---    0.34562   0.34716   0.34970   0.35068   0.35382
     Eigenvalues ---    0.35453   0.35601   0.37188   0.42229   0.43990
     Eigenvalues ---    0.46797   0.48293   0.51100   0.52625   0.53466
     Eigenvalues ---    0.54289   0.54627   0.58191   0.88794   0.92312
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    17   16
 RFO step:  Lambda=-2.14675951D-04.
 DIIS coeffs:      1.45825     -0.45825
 Iteration  1 RMS(Cart)=  0.03325115 RMS(Int)=  0.00098356
 Iteration  2 RMS(Cart)=  0.00116460 RMS(Int)=  0.00001794
 Iteration  3 RMS(Cart)=  0.00000337 RMS(Int)=  0.00001782
 Iteration  4 RMS(Cart)=  0.00000000 RMS(Int)=  0.00001782
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.60728  -0.00002  -0.00034   0.00025  -0.00010   2.60718
    R2        2.70609   0.00260  -0.00244   0.00309   0.00065   2.70674
    R3        1.85576   0.00101  -0.00044   0.00189   0.00146   1.85722
    R4        2.71181  -0.00043   0.00132  -0.00063   0.00069   2.71251
    R5        1.87936  -0.00352  -0.00194  -0.00765  -0.00958   1.86977
    R6        2.28744  -0.00062  -0.00109  -0.00170  -0.00278   2.28466
    R7        2.68975   0.00184  -0.00029   0.00260   0.00230   2.69206
    R8        1.87177   0.00069  -0.00160  -0.00129  -0.00289   1.86887
    R9        2.29333  -0.00039   0.00036   0.00004   0.00041   2.29374
   R10        2.95198  -0.00057   0.00090   0.00000   0.00086   2.95284
   R11        2.95920   0.00170   0.00003   0.00678   0.00680   2.96599
   R12        2.90249  -0.00082   0.00031  -0.00049  -0.00017   2.90232
   R13        2.88991  -0.00027   0.00107   0.00015   0.00122   2.89113
   R14        2.89837  -0.00040   0.00024  -0.00231  -0.00207   2.89629
   R15        2.90771  -0.00006   0.00057  -0.00027   0.00030   2.90801
   R16        2.11873   0.00076   0.00024   0.00172   0.00195   2.12068
   R17        2.94371  -0.00031  -0.00011  -0.00136  -0.00150   2.94221
   R18        2.90570  -0.00010   0.00059   0.00040   0.00100   2.90670
   R19        2.11485   0.00019   0.00010   0.00045   0.00056   2.11541
   R20        2.96391  -0.00005  -0.00131  -0.00111  -0.00240   2.96151
   R21        2.97654  -0.00002   0.00095  -0.00134  -0.00039   2.97615
   R22        2.96323   0.00116  -0.00026   0.00037   0.00011   2.96334
   R23        2.90705  -0.00051   0.00347  -0.00299   0.00049   2.90754
   R24        2.93583   0.00040   0.00096   0.00140   0.00237   2.93821
   R25        2.08374   0.00018   0.00097   0.00152   0.00249   2.08623
   R26        2.08674  -0.00151  -0.00129  -0.00430  -0.00559   2.08115
   R27        2.91165  -0.00026   0.00043  -0.00097  -0.00054   2.91111
   R28        2.09382  -0.00036  -0.00037   0.00033  -0.00004   2.09378
   R29        2.10364  -0.00006   0.00005   0.00023   0.00028   2.10392
   R30        2.87500   0.00047   0.00110  -0.00023   0.00086   2.87586
   R31        2.11372   0.00060  -0.00060   0.00083   0.00023   2.11395
   R32        2.11726  -0.00007   0.00120   0.00145   0.00265   2.11991
   R33        2.89438  -0.00020  -0.00083  -0.00097  -0.00182   2.89256
   R34        2.91162  -0.00072  -0.00007  -0.00114  -0.00121   2.91041
   R35        2.87213  -0.00145  -0.00064  -0.00322  -0.00388   2.86825
   R36        2.89667  -0.00070   0.00002  -0.00070  -0.00068   2.89599
   R37        2.09245   0.00020   0.00006   0.00047   0.00053   2.09298
   R38        2.09821  -0.00046  -0.00019  -0.00095  -0.00114   2.09707
   R39        2.06877  -0.00018  -0.00009  -0.00060  -0.00069   2.06808
   R40        2.07676  -0.00015   0.00022  -0.00029  -0.00007   2.07669
   R41        2.07870   0.00017  -0.00027   0.00068   0.00041   2.07911
   R42        2.83808   0.00023   0.00001   0.00100   0.00102   2.83910
   R43        2.09790   0.00026   0.00028   0.00094   0.00122   2.09912
   R44        2.09778   0.00040   0.00024   0.00111   0.00135   2.09913
   R45        2.53315  -0.00020   0.00020   0.00010   0.00030   2.53344
   R46        2.86281   0.00194   0.00156   0.00237   0.00392   2.86673
   R47        2.07441   0.00017   0.00032   0.00055   0.00088   2.07528
   R48        2.06981   0.00024   0.00012   0.00079   0.00091   2.07071
   R49        2.07417  -0.00038  -0.00087  -0.00173  -0.00260   2.07156
   R50        2.07467   0.00005  -0.00015  -0.00006  -0.00021   2.07446
   R51        2.08540  -0.00060   0.00000  -0.00131  -0.00131   2.08410
   R52        2.07910  -0.00032  -0.00041  -0.00099  -0.00140   2.07770
   R53        2.52153  -0.00056   0.00016  -0.00033  -0.00016   2.52137
   R54        2.06240   0.00038  -0.00001   0.00063   0.00062   2.06301
   R55        2.79312   0.00054  -0.00028   0.00081   0.00055   2.79366
   R56        2.06351  -0.00013  -0.00007  -0.00030  -0.00037   2.06313
   R57        2.09895  -0.00041   0.00064  -0.00080  -0.00016   2.09879
   R58        2.09667   0.00082   0.00031   0.00165   0.00196   2.09863
   R59        2.81723   0.00025  -0.00041   0.00067   0.00027   2.81750
   R60        2.06361  -0.00019  -0.00031  -0.00052  -0.00082   2.06279
    A1        1.92851   0.00042  -0.00389   0.00362  -0.00027   1.92825
    A2        1.94978   0.00102   0.00356   0.00328   0.00684   1.95662
    A3        1.91775   0.00183   0.00055   0.00757   0.00812   1.92587
    A4        1.73764  -0.00002  -0.00163   0.00152  -0.00014   1.73750
    A5        1.89382   0.00007   0.00112  -0.00110   0.00002   1.89384
    A6        1.98706   0.00000   0.00014  -0.00038  -0.00024   1.98682
    A7        2.00463   0.00026   0.00021   0.00166   0.00188   2.00652
    A8        1.91688  -0.00047   0.00135  -0.00265  -0.00130   1.91558
    A9        1.91968   0.00015  -0.00115   0.00099  -0.00017   1.91951
   A10        1.94241  -0.00008   0.00059  -0.00223  -0.00164   1.94077
   A11        1.81166   0.00037  -0.00014   0.00492   0.00476   1.81642
   A12        1.89245  -0.00027  -0.00279  -0.00456  -0.00735   1.88510
   A13        2.07610  -0.00036  -0.00139  -0.00190  -0.00327   2.07284
   A14        1.87532   0.00046   0.00209   0.00402   0.00610   1.88142
   A15        1.85819  -0.00015   0.00132  -0.00079   0.00054   1.85873
   A16        1.90084   0.00014  -0.00063  -0.00277  -0.00342   1.89741
   A17        1.93346  -0.00040   0.00095  -0.00042   0.00054   1.93401
   A18        1.90910   0.00006   0.00064   0.00076   0.00141   1.91051
   A19        1.94652   0.00006  -0.00080  -0.00061  -0.00141   1.94510
   A20        1.87478  -0.00008   0.00093   0.00155   0.00248   1.87727
   A21        1.89797   0.00022  -0.00107   0.00159   0.00053   1.89850
   A22        1.87881   0.00047  -0.00092   0.00128   0.00036   1.87917
   A23        1.79704  -0.00035  -0.00136  -0.00191  -0.00326   1.79379
   A24        1.82721  -0.00057   0.00098  -0.00282  -0.00184   1.82537
   A25        1.98920  -0.00028   0.00202   0.00321   0.00521   1.99441
   A26        1.93894  -0.00012  -0.00022  -0.00085  -0.00108   1.93786
   A27        2.01380   0.00078  -0.00074   0.00049  -0.00023   2.01357
   A28        1.94606  -0.00069  -0.00684  -0.00666  -0.01347   1.93258
   A29        1.95045   0.00002   0.00186   0.00589   0.00770   1.95815
   A30        1.78934   0.00063   0.00505   0.00090   0.00581   1.79515
   A31        1.82023  -0.00006   0.00009   0.00120   0.00129   1.82152
   A32        2.01108  -0.00057  -0.00099  -0.00636  -0.00733   2.00376
   A33        1.95133   0.00066   0.00078   0.00526   0.00602   1.95735
   A34        1.83077   0.00049   0.00000   0.00268   0.00263   1.83340
   A35        1.94709  -0.00026  -0.00151  -0.00022  -0.00171   1.94537
   A36        1.95095   0.00003   0.00185  -0.00029   0.00156   1.95251
   A37        1.93037  -0.00007  -0.00054  -0.00099  -0.00153   1.92883
   A38        1.95712  -0.00039   0.00168  -0.00062   0.00107   1.95820
   A39        1.84986   0.00018  -0.00144  -0.00061  -0.00205   1.84781
   A40        1.96941  -0.00014  -0.00059  -0.00206  -0.00269   1.96672
   A41        1.94245  -0.00039   0.00045  -0.00497  -0.00450   1.93795
   A42        1.91247   0.00021  -0.00011   0.00277   0.00266   1.91513
   A43        1.91247   0.00059   0.00019   0.00287   0.00305   1.91552
   A44        1.87907  -0.00026  -0.00005   0.00017   0.00015   1.87922
   A45        1.84259   0.00000   0.00015   0.00165   0.00179   1.84438
   A46        1.84834  -0.00044  -0.00089   0.00055  -0.00039   1.84795
   A47        1.95929   0.00051   0.00163   0.00277   0.00441   1.96370
   A48        1.88120  -0.00005   0.00044  -0.00270  -0.00225   1.87895
   A49        1.97305   0.00018  -0.00002   0.00168   0.00167   1.97472
   A50        1.89962   0.00006   0.00040  -0.00011   0.00030   1.89992
   A51        1.89931  -0.00027  -0.00151  -0.00237  -0.00388   1.89543
   A52        1.98810   0.00031  -0.00287  -0.00728  -0.01014   1.97796
   A53        1.80596  -0.00035   0.00300  -0.00184   0.00117   1.80712
   A54        1.85568  -0.00002  -0.00016   0.00286   0.00267   1.85835
   A55        2.00523   0.00012   0.00122   0.00263   0.00381   2.00904
   A56        1.90388  -0.00027  -0.00036   0.00055   0.00018   1.90406
   A57        1.89671   0.00022  -0.00077   0.00343   0.00267   1.89938
   A58        1.88050  -0.00004   0.00050  -0.00134  -0.00084   1.87966
   A59        1.97187   0.00075  -0.00169  -0.00049  -0.00218   1.96969
   A60        1.91130  -0.00033   0.00045   0.00100   0.00145   1.91275
   A61        1.86686  -0.00055   0.00187   0.00103   0.00290   1.86976
   A62        1.96029   0.00037  -0.00054   0.00092   0.00037   1.96066
   A63        1.87410  -0.00018  -0.00061  -0.00109  -0.00170   1.87240
   A64        1.95747   0.00029   0.00008   0.00147   0.00153   1.95900
   A65        1.91436  -0.00019  -0.00024  -0.00187  -0.00211   1.91226
   A66        1.92797  -0.00012   0.00034  -0.00037  -0.00003   1.92794
   A67        1.91060   0.00006  -0.00001   0.00054   0.00055   1.91115
   A68        1.91139  -0.00021  -0.00019  -0.00090  -0.00109   1.91030
   A69        1.83825   0.00015   0.00001   0.00110   0.00111   1.83937
   A70        1.96673   0.00053  -0.00008   0.00103   0.00095   1.96768
   A71        1.95127  -0.00016   0.00028   0.00014   0.00043   1.95170
   A72        1.94462  -0.00058   0.00015  -0.00178  -0.00163   1.94299
   A73        1.86720  -0.00020   0.00063   0.00012   0.00075   1.86795
   A74        1.89279  -0.00005   0.00044  -0.00082  -0.00038   1.89241
   A75        1.83456   0.00047  -0.00149   0.00135  -0.00014   1.83442
   A76        1.94059  -0.00020   0.00128   0.00198   0.00323   1.94382
   A77        1.93074   0.00004   0.00002  -0.00084  -0.00081   1.92992
   A78        1.91013  -0.00015  -0.00073  -0.00180  -0.00252   1.90761
   A79        1.91395   0.00000  -0.00017  -0.00061  -0.00078   1.91317
   A80        1.93727   0.00022  -0.00060  -0.00021  -0.00080   1.93647
   A81        1.82820   0.00011   0.00011   0.00140   0.00151   1.82971
   A82        2.01549  -0.00001   0.00036   0.00027   0.00060   2.01609
   A83        2.14122  -0.00003   0.00034   0.00034   0.00067   2.14189
   A84        2.12629   0.00004  -0.00071  -0.00059  -0.00127   2.12502
   A85        2.13670  -0.00017  -0.00184  -0.00013  -0.00198   2.13473
   A86        2.11868  -0.00063  -0.00045   0.00108   0.00063   2.11931
   A87        2.02735   0.00081   0.00221  -0.00076   0.00144   2.02879
   A88        1.94188  -0.00021  -0.00057  -0.00137  -0.00195   1.93993
   A89        1.94602  -0.00008  -0.00132  -0.00202  -0.00334   1.94268
   A90        1.95807   0.00041   0.00316   0.00287   0.00603   1.96410
   A91        1.87593  -0.00002  -0.00034  -0.00052  -0.00087   1.87506
   A92        1.85387   0.00020   0.00052   0.00357   0.00408   1.85795
   A93        1.88345  -0.00031  -0.00152  -0.00245  -0.00397   1.87949
   A94        1.95546   0.00002   0.00019   0.00003   0.00022   1.95569
   A95        1.96457   0.00043  -0.00141   0.00102  -0.00040   1.96417
   A96        1.93696  -0.00070   0.00052  -0.00259  -0.00207   1.93489
   A97        1.87319  -0.00007  -0.00103  -0.00205  -0.00308   1.87011
   A98        1.87590   0.00020   0.00031   0.00065   0.00096   1.87686
   A99        1.85218   0.00013   0.00151   0.00311   0.00462   1.85680
   A100       2.16270   0.00007   0.00055   0.00035   0.00088   2.16359
   A101       2.01325  -0.00056   0.00000  -0.00136  -0.00135   2.01190
   A102       2.10712   0.00049  -0.00056   0.00101   0.00046   2.10758
   A103       2.14838  -0.00023  -0.00023  -0.00061  -0.00084   2.14754
   A104       2.13818   0.00025  -0.00037   0.00039   0.00002   2.13819
   A105       1.99663  -0.00001   0.00061   0.00020   0.00080   1.99743
   A106       1.94985  -0.00003   0.00046  -0.00018   0.00028   1.95014
   A107       1.82984  -0.00013  -0.00092   0.00016  -0.00077   1.82907
   A108       1.90629  -0.00035  -0.00246  -0.00284  -0.00530   1.90100
   A109       1.95712   0.00053   0.00026   0.00256   0.00282   1.95994
   A110       1.92565   0.00029   0.00080   0.00020   0.00099   1.92664
   A111       1.89180  -0.00036   0.00175  -0.00003   0.00171   1.89351
   A112       2.13141   0.00018  -0.00044   0.00016  -0.00026   2.13115
   A113       2.14715  -0.00014  -0.00027  -0.00070  -0.00098   2.14617
   A114       2.00460  -0.00004   0.00069   0.00057   0.00125   2.00586
   A115       2.14100   0.00007  -0.00004   0.00040   0.00024   2.14125
   A116       2.12329   0.00029  -0.00021   0.00050   0.00017   2.12346
   A117       2.01795  -0.00028  -0.00017   0.00005  -0.00019   2.01776
    D1       -0.90252  -0.00072  -0.06058  -0.08562  -0.14618  -1.04870
    D2        1.12704  -0.00122  -0.06366  -0.08462  -0.14835   0.97870
    D3       -3.06376  -0.00006  -0.05894  -0.07502  -0.13390   3.08553
    D4       -0.79107  -0.00108  -0.00278  -0.05792  -0.06072  -0.85179
    D5       -2.98017  -0.00116  -0.00470  -0.05547  -0.06015  -3.04033
    D6        1.30622  -0.00125  -0.00507  -0.05963  -0.06470   1.24152
    D7        0.48707  -0.00006  -0.00263   0.00026  -0.00236   0.48470
    D8        2.61073   0.00048  -0.00264   0.00337   0.00073   2.61145
    D9       -1.64820  -0.00016  -0.00224   0.00209  -0.00015  -1.64834
   D10        3.05707  -0.00059   0.00038  -0.01241  -0.01203   3.04504
   D11        0.80381  -0.00034   0.00184  -0.01208  -0.01026   0.79355
   D12       -1.16708  -0.00024   0.00155  -0.01162  -0.01007  -1.17715
   D13       -1.12490  -0.00028   0.00026  -0.01024  -0.00997  -1.13487
   D14        2.90502  -0.00003   0.00172  -0.00991  -0.00820   2.89682
   D15        0.93413   0.00007   0.00143  -0.00944  -0.00801   0.92612
   D16        1.01889  -0.00003  -0.00031  -0.01004  -0.01034   1.00855
   D17       -1.23438   0.00021   0.00115  -0.00971  -0.00857  -1.24295
   D18        3.07791   0.00032   0.00087  -0.00925  -0.00838   3.06954
   D19        1.40300   0.00001  -0.00563   0.01064   0.00498   1.40798
   D20       -0.70460   0.00039  -0.00426   0.00637   0.00212  -0.70247
   D21       -2.85024  -0.00006  -0.00470   0.00273  -0.00193  -2.85217
   D22       -0.61539  -0.00017  -0.00606   0.01035   0.00427  -0.61112
   D23       -2.72298   0.00021  -0.00469   0.00608   0.00141  -2.72157
   D24        1.41456  -0.00023  -0.00513   0.00244  -0.00265   1.41191
   D25       -2.78970  -0.00019  -0.00577   0.00992   0.00412  -2.78558
   D26        1.38589   0.00019  -0.00440   0.00566   0.00126   1.38715
   D27       -0.75975  -0.00025  -0.00484   0.00201  -0.00280  -0.76255
   D28        0.95460   0.00029  -0.00199   0.00154  -0.00046   0.95414
   D29       -1.20379  -0.00009  -0.00214   0.00310   0.00096  -1.20284
   D30        3.04807   0.00001  -0.00252   0.00232  -0.00020   3.04788
   D31        2.88093   0.00045  -0.00319   0.00360   0.00038   2.88131
   D32        0.72253   0.00007  -0.00333   0.00516   0.00180   0.72433
   D33       -1.30879   0.00017  -0.00371   0.00438   0.00065  -1.30814
   D34       -1.22942   0.00014  -0.00216   0.00211  -0.00006  -1.22947
   D35        2.89537  -0.00023  -0.00231   0.00367   0.00136   2.89673
   D36        0.86405  -0.00013  -0.00268   0.00289   0.00020   0.86426
   D37        0.94585  -0.00021  -0.00719  -0.00627  -0.01347   0.93238
   D38        3.04967  -0.00021  -0.00623  -0.00527  -0.01151   3.03816
   D39       -1.18639  -0.00010  -0.00782  -0.00464  -0.01247  -1.19886
   D40       -0.98511   0.00009  -0.00609  -0.00631  -0.01238  -0.99750
   D41        1.11870   0.00010  -0.00513  -0.00531  -0.01042   1.10829
   D42       -3.11736   0.00020  -0.00672  -0.00467  -0.01138  -3.12873
   D43        3.07542  -0.00001  -0.00650  -0.00723  -0.01374   3.06168
   D44       -1.10395  -0.00001  -0.00554  -0.00623  -0.01178  -1.11572
   D45        0.94318   0.00010  -0.00713  -0.00560  -0.01274   0.93044
   D46        1.06795   0.00006  -0.00183   0.00496   0.00310   1.07105
   D47       -3.06822  -0.00003  -0.00264   0.00205  -0.00062  -3.06884
   D48       -0.97627   0.00003  -0.00296   0.00425   0.00128  -0.97500
   D49       -3.11137   0.00021  -0.00259   0.00833   0.00571  -3.10565
   D50       -0.96436   0.00013  -0.00340   0.00542   0.00199  -0.96237
   D51        1.12759   0.00018  -0.00372   0.00762   0.00389   1.13148
   D52       -1.00139   0.00015  -0.00006   0.00929   0.00923  -0.99216
   D53        1.14562   0.00006  -0.00087   0.00639   0.00551   1.15113
   D54       -3.04562   0.00012  -0.00119   0.00858   0.00741  -3.03821
   D55       -0.59541  -0.00005   0.00083   0.01237   0.01323  -0.58218
   D56        1.49506   0.00003  -0.00063   0.01270   0.01207   1.50713
   D57       -2.72028   0.00010  -0.00222   0.01158   0.00936  -2.71091
   D58       -2.76447   0.00000   0.00110   0.01250   0.01363  -2.75084
   D59       -0.67400   0.00007  -0.00036   0.01282   0.01248  -0.66152
   D60        1.39385   0.00014  -0.00195   0.01171   0.00977   1.40362
   D61        1.40010  -0.00025  -0.00182   0.00910   0.00730   1.40739
   D62       -2.79262  -0.00017  -0.00328   0.00942   0.00614  -2.78648
   D63       -0.72477  -0.00010  -0.00488   0.00831   0.00343  -0.72134
   D64        1.12054  -0.00007   0.00125   0.00433   0.00559   1.12612
   D65       -0.86078   0.00020   0.00238   0.00413   0.00652  -0.85426
   D66        3.11155  -0.00055   0.00179   0.00126   0.00304   3.11459
   D67       -1.01863   0.00029   0.00101   0.00717   0.00817  -1.01046
   D68       -2.99995   0.00057   0.00214   0.00696   0.00910  -2.99085
   D69        0.97239  -0.00019   0.00155   0.00409   0.00562   0.97801
   D70       -3.09672   0.00003   0.00219   0.00460   0.00679  -3.08993
   D71        1.20515   0.00031   0.00333   0.00439   0.00772   1.21287
   D72       -1.10570  -0.00044   0.00273   0.00152   0.00424  -1.10146
   D73       -3.05332   0.00013   0.00020   0.00743   0.00766  -3.04566
   D74        1.10298  -0.00001   0.00032   0.00706   0.00740   1.11038
   D75       -0.91575  -0.00002   0.00025   0.00703   0.00730  -0.90845
   D76       -0.93298   0.00008  -0.00049   0.00319   0.00270  -0.93027
   D77       -3.05987  -0.00006  -0.00037   0.00282   0.00245  -3.05742
   D78        1.20459  -0.00007  -0.00044   0.00279   0.00235   1.20694
   D79        1.13126   0.00016  -0.00050   0.00574   0.00524   1.13651
   D80       -0.99563   0.00002  -0.00038   0.00537   0.00499  -0.99064
   D81       -3.01435   0.00002  -0.00044   0.00534   0.00489  -3.00946
   D82        2.91452  -0.00026  -0.00439  -0.00539  -0.00976   2.90475
   D83       -1.28959  -0.00040  -0.00167  -0.01150  -0.01318  -1.30277
   D84        0.84455  -0.00024  -0.00210  -0.00475  -0.00685   0.83770
   D85       -1.33913  -0.00003  -0.00536  -0.00349  -0.00885  -1.34798
   D86        0.73994  -0.00018  -0.00264  -0.00960  -0.01226   0.72768
   D87        2.87409  -0.00002  -0.00306  -0.00285  -0.00593   2.86815
   D88        0.93519   0.00029  -0.00440  -0.00106  -0.00546   0.92973
   D89        3.01427   0.00015  -0.00167  -0.00718  -0.00888   3.00539
   D90       -1.13478   0.00031  -0.00210  -0.00043  -0.00255  -1.13732
   D91        1.06396   0.00008  -0.00142  -0.00702  -0.00844   1.05553
   D92        3.12228  -0.00019   0.00022  -0.00691  -0.00669   3.11560
   D93       -1.07293  -0.00015  -0.00134  -0.00791  -0.00925  -1.08218
   D94       -0.95915  -0.00010  -0.00078  -0.00655  -0.00732  -0.96647
   D95        1.09917  -0.00037   0.00087  -0.00644  -0.00557   1.09360
   D96       -3.09605  -0.00033  -0.00070  -0.00744  -0.00813  -3.10418
   D97        3.02572  -0.00033  -0.00280  -0.01083  -0.01361   3.01211
   D98       -1.19915  -0.00059  -0.00115  -0.01072  -0.01186  -1.21100
   D99        0.88882  -0.00055  -0.00272  -0.01172  -0.01442   0.87440
   D100      -1.74627   0.00051   0.01220   0.00594   0.01815  -1.72813
   D101       0.41464   0.00075   0.01256   0.01011   0.02269   0.43733
   D102       2.50603   0.00069   0.01197   0.00708   0.01907   2.52510
   D103       0.35838  -0.00035   0.00503   0.00182   0.00683   0.36522
   D104       2.51930  -0.00011   0.00540   0.00599   0.01138   2.53067
   D105      -1.67249  -0.00017   0.00481   0.00296   0.00775  -1.66474
   D106       2.54252  -0.00070   0.00434  -0.00207   0.00225   2.54477
   D107      -1.57975  -0.00046   0.00470   0.00210   0.00680  -1.57296
   D108       0.51164  -0.00052   0.00411  -0.00094   0.00317   0.51482
   D109      -2.80172  -0.00037   0.01843   0.03518   0.05358  -2.74814
   D110       0.30800  -0.00009   0.01517   0.04182   0.05696   0.36496
   D111       1.36421   0.00036   0.02393   0.04625   0.07017   1.43438
   D112      -1.80925   0.00064   0.02066   0.05289   0.07354  -1.73571
   D113      -0.70995   0.00034   0.02393   0.04523   0.06919  -0.64076
   D114       2.39977   0.00063   0.02066   0.05187   0.07256   2.47234
   D115       0.14327  -0.00004  -0.00351  -0.00954  -0.01305   0.13022
   D116      -2.00898  -0.00049  -0.00491  -0.01443  -0.01934  -2.02832
   D117       2.16165  -0.00029  -0.00327  -0.01245  -0.01572   2.14593
   D118      -1.95832   0.00002  -0.00142  -0.01035  -0.01175  -1.97007
   D119       2.17261  -0.00043  -0.00282  -0.01523  -0.01805   2.15457
   D120       0.06006  -0.00024  -0.00117  -0.01325  -0.01442   0.04563
   D121       2.26410   0.00008  -0.00034  -0.00852  -0.00885   2.25525
   D122       0.11185  -0.00036  -0.00174  -0.01341  -0.01514   0.09671
   D123      -2.00071  -0.00017  -0.00009  -0.01142  -0.01152  -2.01223
   D124       1.38925   0.00009   0.00257  -0.00091   0.00166   1.39091
   D125      -0.78880  -0.00012   0.00327   0.00801   0.01128  -0.77752
   D126      -2.92681  -0.00001   0.00348   0.00284   0.00631  -2.92050
   D127      -2.71907  -0.00008   0.00287  -0.00670  -0.00384  -2.72291
   D128       1.38607  -0.00029   0.00357   0.00222   0.00578   1.39185
   D129      -0.75194  -0.00018   0.00377  -0.00296   0.00081  -0.75113
   D130      -0.72333   0.00009   0.00312  -0.00320  -0.00008  -0.72341
   D131      -2.90138  -0.00012   0.00382   0.00572   0.00953  -2.89185
   D132       1.24380  -0.00001   0.00402   0.00054   0.00456   1.24836
   D133       1.12480   0.00013  -0.00558  -0.02797  -0.03354   1.09126
   D134      -3.06431  -0.00010  -0.00729  -0.03092  -0.03820  -3.10251
   D135      -0.94938  -0.00026  -0.00796  -0.03350  -0.04146  -0.99083
   D136      -3.06875   0.00005  -0.00558  -0.02405  -0.02964  -3.09840
   D137      -0.97467  -0.00017  -0.00730  -0.02700  -0.03430  -1.00897
   D138       1.14026  -0.00034  -0.00796  -0.02958  -0.03756   1.10270
   D139      -0.95602   0.00005  -0.00615  -0.02476  -0.03090  -0.98692
   D140       1.13806  -0.00017  -0.00786  -0.02771  -0.03556   1.10250
   D141      -3.03019  -0.00034  -0.00853  -0.03028  -0.03882  -3.06901
   D142       0.98011   0.00026  -0.00209   0.00127  -0.00082   0.97928
   D143      -2.18202   0.00032  -0.00328   0.00243  -0.00086  -2.18288
   D144      -1.14477  -0.00030  -0.00142   0.00202   0.00060  -1.14418
   D145       1.97629  -0.00024  -0.00261   0.00317   0.00056   1.97685
   D146       3.08653   0.00005  -0.00154   0.00219   0.00065   3.08718
   D147      -0.07560   0.00011  -0.00273   0.00334   0.00062  -0.07498
   D148      -0.86534  -0.00017  -0.01517  -0.00781  -0.02297  -0.88832
   D149       1.24775   0.00006  -0.01739  -0.00973  -0.02711   1.22064
   D150      -2.96242   0.00004  -0.01605  -0.00687  -0.02292  -2.98534
   D151       1.20094  -0.00014  -0.01431  -0.00907  -0.02339   1.17754
   D152      -2.96915   0.00009  -0.01654  -0.01099  -0.02753  -2.99668
   D153      -0.89614   0.00007  -0.01520  -0.00813  -0.02334  -0.91948
   D154      -2.97460  -0.00010  -0.01426  -0.00802  -0.02229  -2.99689
   D155      -0.86150   0.00013  -0.01648  -0.00994  -0.02643  -0.88793
   D156       1.21151   0.00011  -0.01515  -0.00708  -0.02224   1.18928
   D157       2.16130  -0.00020   0.00219  -0.00545  -0.00327   2.15803
   D158      -0.99641  -0.00023   0.00208  -0.00570  -0.00362  -1.00002
   D159       0.07274  -0.00016   0.00161  -0.00504  -0.00343   0.06930
   D160      -3.08497  -0.00019   0.00150  -0.00528  -0.00378  -3.08875
   D161      -1.97484   0.00041   0.00001  -0.00613  -0.00611  -1.98096
   D162       1.15063   0.00038  -0.00009  -0.00637  -0.00646   1.14417
   D163       0.90550  -0.00014  -0.00142  -0.00757  -0.00899   0.89650
   D164      -1.22560  -0.00003  -0.00209  -0.00757  -0.00966  -1.23526
   D165       3.05192  -0.00010  -0.00182  -0.00775  -0.00957   3.04235
   D166       3.03454  -0.00015  -0.00167  -0.00859  -0.01026   3.02428
   D167       0.90344  -0.00004  -0.00234  -0.00858  -0.01092   0.89252
   D168      -1.10222  -0.00011  -0.00207  -0.00876  -0.01084  -1.11306
   D169      -1.24145  -0.00004  -0.00177  -0.00746  -0.00923  -1.25068
   D170       2.91064   0.00007  -0.00244  -0.00746  -0.00989   2.90075
   D171       0.90497   0.00000  -0.00217  -0.00764  -0.00981   0.89517
   D172      -0.96296  -0.00007   0.00293   0.00536   0.00830  -0.95466
   D173       2.19898  -0.00012   0.00410   0.00421   0.00831   2.20728
   D174       1.17785  -0.00015   0.00370   0.00521   0.00891   1.18675
   D175      -1.94341  -0.00021   0.00486   0.00406   0.00892  -1.93449
   D176      -3.09371   0.00011   0.00339   0.00643   0.00982  -3.08389
   D177       0.06822   0.00006   0.00455   0.00528   0.00983   0.07805
   D178       0.01014   0.00055  -0.00112   0.00789   0.00677   0.01691
   D179      -3.13416   0.00007   0.00107   0.00121   0.00227  -3.13188
   D180       3.12992   0.00061  -0.00237   0.00913   0.00676   3.13668
   D181      -0.01438   0.00013  -0.00018   0.00244   0.00226  -0.01212
   D182      -0.24816   0.00029  -0.00084  -0.00539  -0.00623  -0.25439
   D183      -2.29659   0.00013  -0.00015  -0.00716  -0.00731  -2.30390
   D184       1.87598   0.00003  -0.00310  -0.00899  -0.01210   1.86389
   D185       2.92495   0.00001   0.00241  -0.01193  -0.00953   2.91542
   D186       0.87651  -0.00016   0.00310  -0.01371  -0.01060   0.86591
   D187      -1.23410  -0.00026   0.00015  -0.01553  -0.01539  -1.24949
   D188      -0.00396  -0.00044   0.00332  -0.00446  -0.00115  -0.00510
   D189       3.13084  -0.00005   0.00086   0.00109   0.00195   3.13279
   D190      -3.12861  -0.00039   0.00342  -0.00418  -0.00077  -3.12937
   D191       0.00619  -0.00001   0.00096   0.00137   0.00233   0.00852
   D192      -3.12480   0.00076  -0.01138   0.00609  -0.00528  -3.13008
   D193       0.06267  -0.00115   0.00591  -0.01696  -0.01105   0.05162
   D194       0.01930   0.00120  -0.01340   0.01229  -0.00111   0.01819
   D195      -3.07642  -0.00070   0.00389  -0.01077  -0.00688  -3.08330
   D196       3.12106  -0.00081   0.01010  -0.00767   0.00243   3.12349
   D197      -0.06590   0.00106  -0.00700   0.01513   0.00814  -0.05776
   D198      -0.01426  -0.00117   0.01238  -0.01280  -0.00042  -0.01468
   D199       3.08198   0.00071  -0.00472   0.01000   0.00528   3.08725
         Item               Value     Threshold  Converged?
 Maximum Force            0.003520     0.000450     NO 
 RMS     Force            0.000481     0.000300     NO 
 Maximum Displacement     0.222652     0.001800     NO 
 RMS     Displacement     0.033245     0.001200     NO 
 Predicted change in Energy=-4.897689D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C22H29FO5
 Framework group  C1[X(C22H29FO5)]
 Deg. of freedom   165
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          9           0        1.533320    0.014325   -1.375653
      2          8           0       -2.996338    0.238193   -1.784361
      3          8           0        0.368811   -2.255850    1.162596
      4          8           0       -4.803913   -0.253391    1.111890
      5          8           0       -5.686976   -2.350407   -0.354699
      6          8           0        6.455617   -0.217260   -1.473458
      7          6           0       -1.641365   -0.143161    0.246673
      8          6           0       -0.749818    1.113817   -0.011758
      9          6           0        0.638852    0.946632    0.614877
     10          6           0        1.338865   -0.279330   -0.041705
     11          6           0       -2.995949    0.369535   -0.358051
     12          6           0       -1.628119    2.294493    0.438420
     13          6           0       -1.017828   -1.341695   -0.483756
     14          6           0       -3.083972    1.867019    0.098924
     15          6           0        0.455286   -1.572488   -0.096730
     16          6           0        2.790325   -0.477937    0.536362
     17          6           0        1.472802    2.227908    0.445211
     18          6           0       -1.828987   -0.474011    1.728560
     19          6           0        2.912690    2.052582    0.939695
     20          6           0        3.553555    0.834027    0.338372
     21          6           0       -4.236594   -0.438523    0.060450
     22          6           0       -3.740538    2.757474   -0.946070
     23          6           0        2.796431   -0.782906    2.045974
     24          6           0        3.460973   -1.646569   -0.162414
     25          6           0        4.727759    0.899292   -0.305291
     26          6           0       -4.738749   -1.462674   -0.939684
     27          6           0        4.626819   -1.561060   -0.805621
     28          6           0        5.386634   -0.281873   -0.902145
     29          1           0       -0.615045    1.221526   -1.120632
     30          1           0        0.531222    0.728843    1.707627
     31          1           0       -1.523562    2.486106    1.520608
     32          1           0       -1.342447    3.232720   -0.062552
     33          1           0       -1.102598   -1.225892   -1.582403
     34          1           0       -1.581941   -2.268637   -0.234570
     35          1           0       -3.698020    1.901061    1.033361
     36          1           0        0.910683   -2.297545   -0.821544
     37          1           0        0.991370    3.059447    0.996077
     38          1           0        1.483303    2.546035   -0.617884
     39          1           0       -2.197006    0.377733    2.308871
     40          1           0       -2.542665   -1.296498    1.876348
     41          1           0       -0.889897   -0.824269    2.182331
     42          1           0        2.938738    1.979269    2.047773
     43          1           0        3.496593    2.966999    0.701366
     44          1           0       -4.779995    2.453853   -1.128750
     45          1           0       -3.756228    3.804656   -0.623757
     46          1           0       -3.229772    2.714884   -1.915094
     47          1           0        2.200964   -0.057496    2.615418
     48          1           0        2.396336   -1.784432    2.276546
     49          1           0        3.820140   -0.758136    2.446280
     50          1           0       -2.265098    0.763572   -2.178262
     51          1           0        2.928639   -2.597342   -0.095634
     52          1           0        1.257792   -2.387681    1.576515
     53          1           0        5.273533    1.835653   -0.436831
     54          1           0       -3.925908   -2.121334   -1.312452
     55          1           0       -5.208412   -0.956235   -1.809311
     56          1           0        5.098587   -2.414522   -1.296116
     57          1           0       -6.161206   -1.904853    0.390041
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.4217130      0.1025725      0.0945232
 Standard basis: VSTO-6G (5D, 7F)
 There are   141 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   141 basis functions,   846 primitive gaussians,   141 cartesian basis functions
    77 alpha electrons       77 beta electrons
       nuclear repulsion energy      1658.7902724584 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   141 RedAO= F  NBF=   141
 NBsUse=   141 1.00D-04 NBFU=   141
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=982442.
 SCF Done:  E(RPM6) = -0.416853589144     A.U. after   14 cycles
             Convg  =    0.6110D-08             -V/T =  0.9987
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        9           0.000631327   -0.000035050    0.000535472
      2        8           0.000426994    0.001396944    0.001469937
      3        8           0.000345803   -0.001704955   -0.001201990
      4        8          -0.000812918    0.000147135   -0.001245543
      5        8           0.000293623    0.000618964    0.000187624
      6        8           0.000128287    0.000216832   -0.001926970
      7        6           0.002286362    0.001082174    0.000240242
      8        6          -0.000944275    0.000320172   -0.000396461
      9        6           0.000077731    0.000125951   -0.000083099
     10        6          -0.000091221   -0.000524858   -0.000435923
     11        6          -0.003326723   -0.000519757   -0.002781775
     12        6          -0.000053242    0.000419134   -0.000573183
     13        6           0.000174428   -0.000259875   -0.000201686
     14        6           0.002007897   -0.000465908    0.001071441
     15        6          -0.000440289    0.001497262    0.000205618
     16        6          -0.000067901    0.000441609    0.000116208
     17        6           0.000117008   -0.000004144    0.000083157
     18        6          -0.001293183   -0.000244930    0.000511852
     19        6          -0.000213935   -0.000319107    0.000244511
     20        6           0.000194089   -0.000178125   -0.000226644
     21        6           0.001745817   -0.001090868    0.001648688
     22        6           0.000000730    0.000522848    0.000162166
     23        6           0.000270378    0.000136316   -0.000074101
     24        6           0.000400887    0.000116559    0.000502654
     25        6           0.000394576   -0.000115828   -0.002069132
     26        6           0.001298380    0.000696659   -0.000285096
     27        6           0.000346459    0.000204805   -0.002166961
     28        6          -0.001212080   -0.000548212    0.005208773
     29        1           0.000001243   -0.000100112    0.000188928
     30        1          -0.000063500    0.000283383    0.000110473
     31        1          -0.000226727    0.000052768    0.000318159
     32        1          -0.000214186    0.000418956    0.000435718
     33        1          -0.000301344   -0.000280935   -0.000172131
     34        1           0.000250149   -0.000226458    0.000103593
     35        1          -0.000248687    0.000158998   -0.000744676
     36        1           0.000111087   -0.000758548   -0.000614351
     37        1          -0.000050751    0.000032996   -0.000144624
     38        1           0.000012561    0.000167186   -0.000144150
     39        1           0.000102250    0.000167265   -0.000125148
     40        1          -0.000006865   -0.000337347    0.000182429
     41        1           0.000427797   -0.000263409    0.000043218
     42        1          -0.000074117    0.000143825    0.000049790
     43        1           0.000019345   -0.000074356    0.000068471
     44        1          -0.000093446   -0.000030386   -0.000110748
     45        1          -0.000185835   -0.000231785   -0.000056342
     46        1           0.000298679   -0.000325897   -0.000148315
     47        1          -0.000028537   -0.000083645   -0.000049456
     48        1           0.000378171   -0.000481680   -0.000235670
     49        1           0.000071399   -0.000128595    0.000157692
     50        1          -0.000101396   -0.000848287    0.000261253
     51        1          -0.000368025    0.000105074    0.000023567
     52        1          -0.001234923    0.001420460    0.001704192
     53        1           0.000022101    0.000163406    0.000189524
     54        1          -0.000786364   -0.000327404    0.000191069
     55        1           0.000089581   -0.000055864    0.000352162
     56        1           0.000023437   -0.000056727    0.000128821
     57        1          -0.000508106   -0.000434631   -0.000483223
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.005208773 RMS     0.000822030

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.001797419 RMS     0.000362389
 Search for a local minimum.
 Step number  18 out of a maximum of  342
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   17   18
 DE= -7.54D-04 DEPred=-4.90D-04 R= 1.54D+00
 SS=  1.41D+00  RLast= 3.60D-01 DXNew= 1.8622D+00 1.0800D+00
 Trust test= 1.54D+00 RLast= 3.60D-01 DXMaxT set to 1.11D+00
     Eigenvalues ---    0.00113   0.00208   0.00230   0.00246   0.00279
     Eigenvalues ---    0.00321   0.00436   0.00486   0.00527   0.00601
     Eigenvalues ---    0.00650   0.00709   0.00968   0.01244   0.01380
     Eigenvalues ---    0.01395   0.01446   0.01533   0.01641   0.01700
     Eigenvalues ---    0.01766   0.02098   0.02225   0.02307   0.02499
     Eigenvalues ---    0.03056   0.03288   0.03665   0.03761   0.03841
     Eigenvalues ---    0.03940   0.04063   0.04255   0.04410   0.04552
     Eigenvalues ---    0.04667   0.04786   0.04814   0.04965   0.05006
     Eigenvalues ---    0.05037   0.05129   0.05185   0.05290   0.05339
     Eigenvalues ---    0.05373   0.05400   0.05498   0.05536   0.05570
     Eigenvalues ---    0.05766   0.05895   0.06104   0.06276   0.06736
     Eigenvalues ---    0.06919   0.06980   0.07142   0.07156   0.07341
     Eigenvalues ---    0.07707   0.08023   0.08207   0.08289   0.08328
     Eigenvalues ---    0.08390   0.09063   0.09157   0.09296   0.10622
     Eigenvalues ---    0.11261   0.11724   0.11974   0.13025   0.13662
     Eigenvalues ---    0.13876   0.14661   0.14989   0.15064   0.15738
     Eigenvalues ---    0.15877   0.15981   0.15997   0.15999   0.16000
     Eigenvalues ---    0.16000   0.16007   0.16020   0.16034   0.16040
     Eigenvalues ---    0.16093   0.16219   0.16565   0.17273   0.17657
     Eigenvalues ---    0.18033   0.18510   0.19339   0.19996   0.21235
     Eigenvalues ---    0.21466   0.22436   0.22932   0.23515   0.24167
     Eigenvalues ---    0.24940   0.25145   0.25360   0.26189   0.26463
     Eigenvalues ---    0.26637   0.27473   0.27801   0.27892   0.28407
     Eigenvalues ---    0.28566   0.28759   0.29277   0.29497   0.29985
     Eigenvalues ---    0.30476   0.31089   0.32266   0.32366   0.33238
     Eigenvalues ---    0.33528   0.33759   0.33871   0.33919   0.33993
     Eigenvalues ---    0.34028   0.34047   0.34078   0.34108   0.34125
     Eigenvalues ---    0.34192   0.34233   0.34242   0.34272   0.34294
     Eigenvalues ---    0.34325   0.34351   0.34366   0.34433   0.34462
     Eigenvalues ---    0.34599   0.34788   0.34960   0.35068   0.35321
     Eigenvalues ---    0.35420   0.35576   0.37526   0.42253   0.44071
     Eigenvalues ---    0.45401   0.48218   0.51673   0.52485   0.53481
     Eigenvalues ---    0.54163   0.56666   0.58142   0.89318   0.92665
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    18   17   16
 RFO step:  Lambda=-1.56948317D-04.
 DIIS coeffs:      2.39285     -1.71097      0.31811
 Iteration  1 RMS(Cart)=  0.06707024 RMS(Int)=  0.00603698
 Iteration  2 RMS(Cart)=  0.00653766 RMS(Int)=  0.00016845
 Iteration  3 RMS(Cart)=  0.00016768 RMS(Int)=  0.00003745
 Iteration  4 RMS(Cart)=  0.00000012 RMS(Int)=  0.00003745
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.60718   0.00063   0.00010   0.00237   0.00248   2.60966
    R2        2.70674   0.00180   0.00260   0.00094   0.00354   2.71028
    R3        1.85722   0.00048   0.00233  -0.00043   0.00190   1.85912
    R4        2.71251  -0.00051   0.00005   0.00123   0.00128   2.71379
    R5        1.86977  -0.00172  -0.01200  -0.00709  -0.01909   1.85068
    R6        2.28466   0.00143  -0.00313   0.00217  -0.00096   2.28370
    R7        2.69206   0.00038   0.00341  -0.00190   0.00151   2.69357
    R8        1.86887   0.00081  -0.00292  -0.00157  -0.00449   1.86438
    R9        2.29374  -0.00077   0.00031  -0.00041  -0.00010   2.29364
   R10        2.95284  -0.00085   0.00057  -0.00333  -0.00287   2.94997
   R11        2.96599   0.00038   0.00945  -0.00008   0.00935   2.97534
   R12        2.90232  -0.00104  -0.00045  -0.00276  -0.00319   2.89913
   R13        2.89113  -0.00061   0.00096  -0.00144  -0.00048   2.89065
   R14        2.89629   0.00017  -0.00305   0.00467   0.00161   2.89791
   R15        2.90801  -0.00048   0.00003  -0.00201  -0.00196   2.90605
   R16        2.12068   0.00019   0.00255  -0.00022   0.00234   2.12302
   R17        2.94221   0.00002  -0.00201   0.00109  -0.00095   2.94126
   R18        2.90670  -0.00013   0.00098   0.00054   0.00152   2.90822
   R19        2.11541  -0.00006   0.00071  -0.00075  -0.00004   2.11537
   R20        2.96151   0.00091  -0.00244   0.00071  -0.00169   2.95982
   R21        2.97615   0.00058  -0.00120   0.00155   0.00035   2.97650
   R22        2.96334  -0.00029   0.00033  -0.00535  -0.00501   2.95833
   R23        2.90754  -0.00140  -0.00173   0.00043  -0.00131   2.90623
   R24        2.93821  -0.00085   0.00264  -0.00400  -0.00131   2.93689
   R25        2.08623  -0.00034   0.00279  -0.00080   0.00199   2.08822
   R26        2.08115  -0.00019  -0.00689   0.00081  -0.00609   2.07506
   R27        2.91111  -0.00046  -0.00105  -0.00218  -0.00321   2.90790
   R28        2.09378  -0.00014   0.00020   0.00085   0.00105   2.09483
   R29        2.10392  -0.00034   0.00036  -0.00239  -0.00203   2.10189
   R30        2.87586  -0.00008   0.00044   0.00040   0.00084   2.87670
   R31        2.11395   0.00074   0.00074   0.00192   0.00266   2.11661
   R32        2.11991  -0.00083   0.00286  -0.00335  -0.00049   2.11942
   R33        2.89256   0.00016  -0.00196   0.00187  -0.00011   2.89245
   R34        2.91041   0.00011  -0.00164   0.00196   0.00032   2.91073
   R35        2.86825   0.00000  -0.00496   0.00313  -0.00183   2.86642
   R36        2.89599  -0.00034  -0.00096   0.00035  -0.00061   2.89538
   R37        2.09298   0.00006   0.00070  -0.00008   0.00062   2.09360
   R38        2.09707  -0.00018  -0.00145  -0.00010  -0.00155   2.09552
   R39        2.06808  -0.00011  -0.00090   0.00008  -0.00081   2.06726
   R40        2.07669  -0.00028  -0.00025  -0.00132  -0.00156   2.07512
   R41        2.07911   0.00027   0.00076   0.00105   0.00181   2.08092
   R42        2.83910  -0.00002   0.00142  -0.00042   0.00102   2.84012
   R43        2.09912  -0.00005   0.00150  -0.00049   0.00101   2.10013
   R44        2.09913   0.00009   0.00171  -0.00037   0.00135   2.10048
   R45        2.53344  -0.00022   0.00027   0.00002   0.00029   2.53373
   R46        2.86673   0.00021   0.00438   0.00063   0.00502   2.87175
   R47        2.07528   0.00006   0.00100   0.00024   0.00123   2.07652
   R48        2.07071   0.00025   0.00118   0.00103   0.00221   2.07293
   R49        2.07156  -0.00001  -0.00302   0.00008  -0.00294   2.06862
   R50        2.07446   0.00010  -0.00019   0.00005  -0.00014   2.07432
   R51        2.08410  -0.00051  -0.00182  -0.00302  -0.00484   2.07925
   R52        2.07770   0.00001  -0.00167   0.00004  -0.00163   2.07608
   R53        2.52137  -0.00033  -0.00034   0.00017  -0.00016   2.52121
   R54        2.06301   0.00026   0.00087   0.00001   0.00088   2.06390
   R55        2.79366   0.00035   0.00096  -0.00074   0.00022   2.79389
   R56        2.06313  -0.00010  -0.00047  -0.00062  -0.00109   2.06204
   R57        2.09879  -0.00073  -0.00067  -0.00326  -0.00393   2.09486
   R58        2.09863   0.00027   0.00252  -0.00007   0.00244   2.10107
   R59        2.81750   0.00020   0.00067  -0.00069   0.00000   2.81750
   R60        2.06279   0.00002  -0.00094  -0.00021  -0.00114   2.06164
    A1        1.92825  -0.00006   0.00233  -0.00168   0.00065   1.92889
    A2        1.95662  -0.00036   0.00706  -0.00993  -0.00287   1.95375
    A3        1.92587  -0.00002   0.01093  -0.00973   0.00120   1.92708
    A4        1.73750   0.00019   0.00094   0.00154   0.00242   1.73991
    A5        1.89384  -0.00015  -0.00075  -0.00088  -0.00164   1.89221
    A6        1.98682   0.00006  -0.00043   0.00118   0.00076   1.98758
    A7        2.00652   0.00005   0.00248   0.00172   0.00423   2.01074
    A8        1.91558  -0.00054  -0.00274  -0.00624  -0.00896   1.90662
    A9        1.91951   0.00037   0.00056   0.00266   0.00322   1.92273
   A10        1.94077   0.00012  -0.00270  -0.00051  -0.00322   1.93755
   A11        1.81642  -0.00014   0.00673  -0.00290   0.00380   1.82022
   A12        1.88510   0.00007  -0.00830   0.00284  -0.00546   1.87963
   A13        2.07284   0.00004  -0.00358   0.00054  -0.00298   2.06986
   A14        1.88142  -0.00007   0.00705   0.00054   0.00758   1.88900
   A15        1.85873  -0.00003  -0.00016  -0.00022  -0.00037   1.85836
   A16        1.89741   0.00027  -0.00433   0.00420  -0.00018   1.89723
   A17        1.93401  -0.00038   0.00010   0.00566   0.00578   1.93979
   A18        1.91051   0.00001   0.00152  -0.00237  -0.00084   1.90967
   A19        1.94510   0.00005  -0.00141   0.00134  -0.00008   1.94502
   A20        1.87727  -0.00015   0.00281  -0.00569  -0.00289   1.87438
   A21        1.89850   0.00021   0.00147  -0.00356  -0.00208   1.89641
   A22        1.87917   0.00044   0.00114   0.00471   0.00585   1.88502
   A23        1.79379  -0.00016  -0.00359   0.00501   0.00142   1.79521
   A24        1.82537  -0.00057  -0.00324   0.00338   0.00014   1.82551
   A25        1.99441  -0.00073   0.00586  -0.00597  -0.00014   1.99427
   A26        1.93786  -0.00020  -0.00136  -0.00151  -0.00291   1.93495
   A27        2.01357   0.00120   0.00019  -0.00325  -0.00305   2.01052
   A28        1.93258  -0.00004  -0.01402   0.00100  -0.01300   1.91958
   A29        1.95815   0.00007   0.00943  -0.00356   0.00576   1.96391
   A30        1.79515  -0.00010   0.00458   0.00454   0.00877   1.80392
   A31        1.82152  -0.00030   0.00173  -0.00141   0.00034   1.82186
   A32        2.00376  -0.00027  -0.00952  -0.00607  -0.01556   1.98819
   A33        1.95735   0.00066   0.00785   0.00531   0.01313   1.97049
   A34        1.83340   0.00035   0.00367  -0.00090   0.00270   1.83611
   A35        1.94537  -0.00005  -0.00134   0.00322   0.00191   1.94728
   A36        1.95251  -0.00010   0.00089  -0.00212  -0.00121   1.95130
   A37        1.92883  -0.00016  -0.00176  -0.00018  -0.00195   1.92688
   A38        1.95820  -0.00029   0.00033  -0.00312  -0.00273   1.95546
   A39        1.84781   0.00024  -0.00186   0.00306   0.00117   1.84898
   A40        1.96672   0.00036  -0.00334   0.00102  -0.00237   1.96435
   A41        1.93795  -0.00039  -0.00658  -0.00289  -0.00943   1.92852
   A42        1.91513  -0.00002   0.00378  -0.00011   0.00368   1.91881
   A43        1.91552   0.00033   0.00412   0.00035   0.00441   1.91994
   A44        1.87922  -0.00037   0.00024  -0.00161  -0.00133   1.87789
   A45        1.84438   0.00008   0.00239   0.00342   0.00581   1.85020
   A46        1.84795   0.00003   0.00007   0.00233   0.00232   1.85027
   A47        1.96370   0.00008   0.00501  -0.00079   0.00425   1.96795
   A48        1.87895  -0.00012  -0.00344  -0.00152  -0.00495   1.87400
   A49        1.97472   0.00003   0.00234  -0.00261  -0.00026   1.97446
   A50        1.89992  -0.00010   0.00014   0.00021   0.00035   1.90028
   A51        1.89543   0.00007  -0.00436   0.00238  -0.00199   1.89344
   A52        1.97796   0.00095  -0.01213  -0.01169  -0.02377   1.95419
   A53        1.80712  -0.00084  -0.00045   0.00356   0.00307   1.81019
   A54        1.85835  -0.00005   0.00383   0.00918   0.01298   1.87133
   A55        2.00904   0.00002   0.00446   0.00135   0.00573   2.01476
   A56        1.90406  -0.00030   0.00050   0.00011   0.00060   1.90466
   A57        1.89938   0.00021   0.00425  -0.00156   0.00266   1.90204
   A58        1.87966  -0.00009  -0.00152   0.00023  -0.00130   1.87835
   A59        1.96969   0.00087  -0.00186  -0.00292  -0.00478   1.96492
   A60        1.91275  -0.00028   0.00171   0.00300   0.00473   1.91748
   A61        1.86976  -0.00075   0.00274   0.00051   0.00324   1.87300
   A62        1.96066   0.00030   0.00089  -0.00103  -0.00015   1.96051
   A63        1.87240  -0.00004  -0.00194   0.00006  -0.00187   1.87053
   A64        1.95900   0.00041   0.00207  -0.00114   0.00089   1.95988
   A65        1.91226  -0.00013  -0.00277  -0.00042  -0.00317   1.90909
   A66        1.92794  -0.00020  -0.00027   0.00045   0.00019   1.92813
   A67        1.91115  -0.00008   0.00077  -0.00180  -0.00100   1.91015
   A68        1.91030  -0.00015  -0.00139   0.00169   0.00030   1.91060
   A69        1.83937   0.00013   0.00154   0.00136   0.00289   1.84226
   A70        1.96768   0.00032   0.00138  -0.00012   0.00125   1.96894
   A71        1.95170  -0.00015   0.00040   0.00102   0.00142   1.95312
   A72        1.94299  -0.00039  -0.00237  -0.00195  -0.00432   1.93867
   A73        1.86795  -0.00008   0.00061   0.00270   0.00331   1.87126
   A74        1.89241  -0.00007  -0.00083  -0.00282  -0.00366   1.88875
   A75        1.83442   0.00037   0.00084   0.00131   0.00216   1.83658
   A76        1.94382  -0.00018   0.00362   0.00075   0.00431   1.94813
   A77        1.92992   0.00010  -0.00115   0.00008  -0.00105   1.92887
   A78        1.90761  -0.00004  -0.00300   0.00033  -0.00264   1.90497
   A79        1.91317  -0.00003  -0.00097  -0.00163  -0.00258   1.91059
   A80        1.93647   0.00013  -0.00069  -0.00073  -0.00140   1.93507
   A81        1.82971   0.00004   0.00203   0.00121   0.00323   1.83294
   A82        2.01609   0.00002   0.00059   0.00205   0.00260   2.01869
   A83        2.14189  -0.00016   0.00070   0.00006   0.00071   2.14260
   A84        2.12502   0.00014  -0.00128  -0.00208  -0.00327   2.12176
   A85        2.13473   0.00049  -0.00148   0.00271   0.00123   2.13596
   A86        2.11931  -0.00034   0.00118  -0.00221  -0.00102   2.11828
   A87        2.02879  -0.00014   0.00048  -0.00064  -0.00016   2.02863
   A88        1.93993  -0.00003  -0.00232   0.00022  -0.00213   1.93780
   A89        1.94268   0.00007  -0.00373  -0.00032  -0.00406   1.93862
   A90        1.96410  -0.00006   0.00621  -0.00111   0.00509   1.96918
   A91        1.87506  -0.00010  -0.00098  -0.00048  -0.00148   1.87358
   A92        1.85795   0.00022   0.00532   0.00320   0.00850   1.86645
   A93        1.87949  -0.00009  -0.00447  -0.00138  -0.00584   1.87364
   A94        1.95569  -0.00005   0.00017  -0.00121  -0.00105   1.95464
   A95        1.96417   0.00064   0.00043  -0.00004   0.00037   1.96455
   A96        1.93489  -0.00041  -0.00325   0.00153  -0.00172   1.93317
   A97        1.87011  -0.00017  -0.00358  -0.00609  -0.00968   1.86043
   A98        1.87686   0.00009   0.00113   0.00084   0.00196   1.87882
   A99        1.85680  -0.00011   0.00539   0.00512   0.01050   1.86731
   A100       2.16359  -0.00021   0.00085   0.00031   0.00109   2.16468
   A101       2.01190  -0.00012  -0.00188   0.00127  -0.00059   2.01131
   A102       2.10758   0.00033   0.00103  -0.00167  -0.00062   2.10697
   A103       2.14754   0.00000  -0.00100   0.00040  -0.00070   2.14684
   A104       2.13819   0.00019   0.00028   0.00037   0.00067   2.13886
   A105       1.99743  -0.00019   0.00070  -0.00078  -0.00007   1.99736
   A106       1.95014  -0.00035   0.00007  -0.00260  -0.00253   1.94761
   A107       1.82907  -0.00002  -0.00043  -0.00338  -0.00381   1.82526
   A108       1.90100   0.00016  -0.00567   0.00128  -0.00439   1.89660
   A109       1.95994   0.00046   0.00375   0.00274   0.00647   1.96641
   A110       1.92664   0.00005   0.00082   0.00064   0.00144   1.92808
   A111       1.89351  -0.00032   0.00116   0.00124   0.00238   1.89589
   A112       2.13115   0.00016  -0.00006  -0.00020  -0.00032   2.13084
   A113       2.14617   0.00001  -0.00118   0.00035  -0.00082   2.14536
   A114       2.00586  -0.00017   0.00126  -0.00014   0.00113   2.00699
   A115       2.14125  -0.00004   0.00037  -0.00024  -0.00003   2.14122
   A116       2.12346   0.00014   0.00039  -0.00028  -0.00005   2.12341
   A117       2.01776  -0.00004  -0.00015   0.00117   0.00079   2.01855
    D1       -1.04870  -0.00045  -0.16155   0.04163  -0.11989  -1.16858
    D2        0.97870  -0.00081  -0.16244   0.03829  -0.12423   0.85446
    D3        3.08553  -0.00005  -0.14559   0.04559  -0.09996   2.98557
    D4       -0.85179  -0.00112  -0.08264  -0.17302  -0.25558  -1.10737
    D5       -3.04033  -0.00112  -0.08052  -0.17016  -0.25068   2.99218
    D6        1.24152  -0.00097  -0.08660  -0.17365  -0.26033   0.98119
    D7        0.48470  -0.00005  -0.00147   0.02518   0.02372   0.50842
    D8        2.61145   0.00031   0.00284   0.02491   0.02775   2.63920
    D9       -1.64834   0.00000   0.00135   0.02520   0.02655  -1.62179
   D10        3.04504  -0.00012  -0.01702   0.00109  -0.01593   3.02911
   D11        0.79355  -0.00016  -0.01557   0.00278  -0.01283   0.78072
   D12       -1.17715  -0.00009  -0.01510   0.00319  -0.01190  -1.18905
   D13       -1.13487  -0.00003  -0.01407   0.00343  -0.01064  -1.14550
   D14        2.89682  -0.00007  -0.01261   0.00511  -0.00753   2.88929
   D15        0.92612   0.00000  -0.01215   0.00553  -0.00661   0.91952
   D16        1.00855   0.00037  -0.01419   0.00701  -0.00718   1.00137
   D17       -1.24295   0.00033  -0.01274   0.00869  -0.00407  -1.24702
   D18        3.06954   0.00040  -0.01227   0.00911  -0.00314   3.06639
   D19        1.40798   0.00002   0.01085  -0.00132   0.00946   1.41744
   D20       -0.70247   0.00014   0.00592   0.00324   0.00920  -0.69328
   D21       -2.85217  -0.00030   0.00057   0.00127   0.00191  -2.85026
   D22       -0.61112   0.00007   0.01016  -0.00190   0.00819  -0.60293
   D23       -2.72157   0.00018   0.00522   0.00265   0.00793  -2.71364
   D24        1.41191  -0.00026  -0.00013   0.00068   0.00064   1.41255
   D25       -2.78558  -0.00003   0.00975  -0.00168   0.00799  -2.77760
   D26        1.38715   0.00009   0.00481   0.00287   0.00772   1.39487
   D27       -0.76255  -0.00035  -0.00053   0.00091   0.00043  -0.76212
   D28        0.95414   0.00034   0.00074   0.00333   0.00407   0.95822
   D29       -1.20284  -0.00005   0.00282   0.00430   0.00711  -1.19572
   D30        3.04788   0.00010   0.00147   0.00189   0.00337   3.05125
   D31        2.88131   0.00051   0.00275   0.00558   0.00826   2.88957
   D32        0.72433   0.00011   0.00482   0.00655   0.01130   0.73563
   D33       -1.30814   0.00026   0.00348   0.00414   0.00756  -1.30058
   D34       -1.22947   0.00012   0.00142   0.00068   0.00209  -1.22739
   D35        2.89673  -0.00027   0.00350   0.00165   0.00513   2.90186
   D36        0.86426  -0.00012   0.00215  -0.00076   0.00139   0.86564
   D37        0.93238  -0.00011  -0.01377   0.01284  -0.00095   0.93143
   D38        3.03816  -0.00009  -0.01170   0.01701   0.00529   3.04345
   D39       -1.19886   0.00004  -0.01193   0.01805   0.00609  -1.19276
   D40       -0.99750  -0.00004  -0.01302   0.01410   0.00111  -0.99639
   D41        1.10829  -0.00002  -0.01095   0.01826   0.00735   1.11563
   D42       -3.12873   0.00010  -0.01118   0.01931   0.00815  -3.12058
   D43        3.06168   0.00002  -0.01463   0.01452  -0.00012   3.06155
   D44       -1.11572   0.00004  -0.01256   0.01868   0.00611  -1.10961
   D45        0.93044   0.00016  -0.01279   0.01973   0.00692   0.93736
   D46        1.07105   0.00017   0.00559  -0.00175   0.00378   1.07483
   D47       -3.06884   0.00016   0.00097   0.00640   0.00732  -3.06152
   D48       -0.97500   0.00019   0.00383   0.00401   0.00782  -0.96718
   D49       -3.10565   0.00012   0.00976  -0.00578   0.00392  -3.10173
   D50       -0.96237   0.00011   0.00514   0.00238   0.00746  -0.95491
   D51        1.13148   0.00014   0.00800  -0.00001   0.00796   1.13944
   D52       -0.99216   0.00005   0.01290  -0.00525   0.00764  -0.98451
   D53        1.15113   0.00004   0.00828   0.00291   0.01118   1.16231
   D54       -3.03821   0.00007   0.01114   0.00052   0.01168  -3.02652
   D55       -0.58218  -0.00001   0.01785  -0.00771   0.01018  -0.57200
   D56        1.50713  -0.00002   0.01725  -0.00675   0.01050   1.51764
   D57       -2.71091   0.00017   0.01459  -0.00214   0.01246  -2.69845
   D58       -2.75084  -0.00009   0.01822  -0.00498   0.01330  -2.73754
   D59       -0.66152  -0.00010   0.01762  -0.00402   0.01362  -0.64790
   D60        1.40362   0.00010   0.01496   0.00059   0.01558   1.41920
   D61        1.40739   0.00000   0.01142  -0.00589   0.00557   1.41296
   D62       -2.78648  -0.00001   0.01083  -0.00493   0.00589  -2.78059
   D63       -0.72134   0.00018   0.00816  -0.00032   0.00785  -0.71349
   D64        1.12612   0.00001   0.00692   0.00701   0.01393   1.14006
   D65       -0.85426   0.00032   0.00742   0.00114   0.00857  -0.84569
   D66        3.11459  -0.00053   0.00299   0.01289   0.01587   3.13046
   D67       -1.01046   0.00027   0.01068  -0.00383   0.00685  -1.00362
   D68       -2.99085   0.00058   0.01119  -0.00969   0.00148  -2.98936
   D69        0.97801  -0.00027   0.00675   0.00205   0.00879   0.98679
   D70       -3.08993   0.00008   0.00794   0.00330   0.01124  -3.07869
   D71        1.21287   0.00040   0.00844  -0.00256   0.00587   1.21875
   D72       -1.10146  -0.00045   0.00401   0.00919   0.01318  -1.08829
   D73       -3.04566   0.00001   0.01052  -0.01221  -0.00165  -3.04731
   D74        1.11038  -0.00007   0.01008  -0.00885   0.00126   1.11163
   D75       -0.90845  -0.00004   0.00999  -0.01051  -0.00050  -0.90895
   D76       -0.93027   0.00012   0.00410  -0.00206   0.00206  -0.92821
   D77       -3.05742   0.00004   0.00366   0.00130   0.00497  -3.05245
   D78        1.20694   0.00007   0.00357  -0.00035   0.00321   1.21016
   D79        1.13651   0.00010   0.00765  -0.01050  -0.00284   1.13367
   D80       -0.99064   0.00002   0.00721  -0.00714   0.00007  -0.99057
   D81       -3.00946   0.00005   0.00712  -0.00879  -0.00169  -3.01115
   D82        2.90475   0.00009  -0.01055   0.00015  -0.01038   2.89437
   D83       -1.30277  -0.00029  -0.01720  -0.00312  -0.02032  -1.32309
   D84        0.83770  -0.00024  -0.00809  -0.00413  -0.01223   0.82547
   D85       -1.34798   0.00017  -0.00860   0.00603  -0.00258  -1.35056
   D86        0.72768  -0.00021  -0.01525   0.00276  -0.01251   0.71517
   D87        2.86815  -0.00016  -0.00614   0.00175  -0.00442   2.86373
   D88        0.92973   0.00033  -0.00455  -0.00549  -0.01005   0.91968
   D89        3.00539  -0.00005  -0.01120  -0.00876  -0.01999   2.98540
   D90       -1.13732   0.00000  -0.00209  -0.00977  -0.01190  -1.14922
   D91        1.05553   0.00006  -0.01077   0.00837  -0.00240   1.05312
   D92        3.11560  -0.00041  -0.00947   0.00743  -0.00204   3.11356
   D93       -1.08218  -0.00008  -0.01195   0.00767  -0.00427  -1.08645
   D94       -0.96647  -0.00005  -0.00966   0.00169  -0.00795  -0.97442
   D95        1.09360  -0.00052  -0.00836   0.00076  -0.00758   1.08601
   D96       -3.10418  -0.00019  -0.01084   0.00100  -0.00981  -3.11399
   D97        3.01211   0.00008  -0.01701   0.01495  -0.00205   3.01006
   D98       -1.21100  -0.00039  -0.01572   0.01401  -0.00168  -1.21269
   D99        0.87440  -0.00006  -0.01820   0.01425  -0.00391   0.87049
   D100      -1.72813  -0.00001   0.01681  -0.00718   0.00963  -1.71849
   D101       0.43733   0.00009   0.02288  -0.00932   0.01360   0.45093
   D102       2.52510   0.00015   0.01825  -0.00785   0.01043   2.53553
   D103       0.36522  -0.00021   0.00603  -0.00874  -0.00276   0.36246
   D104       2.53067  -0.00011   0.01210  -0.01088   0.00120   2.53188
   D105      -1.66474  -0.00005   0.00746  -0.00941  -0.00196  -1.66670
   D106       2.54477  -0.00035   0.00013  -0.01401  -0.01392   2.53085
   D107      -1.57296  -0.00025   0.00620  -0.01615  -0.00996  -1.58292
   D108       0.51482  -0.00019   0.00157  -0.01468  -0.01313   0.50169
   D109      -2.74814  -0.00019   0.06184   0.07825   0.14001  -2.60813
   D110       0.36496   0.00007   0.06881   0.07313   0.14186   0.50682
   D111       1.43438   0.00007   0.08113   0.07722   0.15832   1.59270
   D112      -1.73571   0.00033   0.08809   0.07211   0.16017  -1.57554
   D113      -0.64076   0.00017   0.07976   0.07946   0.15933  -0.48143
   D114       2.47234   0.00042   0.08673   0.07434   0.16118   2.63351
   D115       0.13022   0.00002  -0.01574   0.00996  -0.00577   0.12445
   D116      -2.02832  -0.00012  -0.02353   0.01095  -0.01259  -2.04091
   D117       2.14593  -0.00016  -0.01963   0.00949  -0.01014   2.13578
   D118      -1.97007  -0.00004  -0.01539   0.00675  -0.00860  -1.97868
   D119       2.15457  -0.00018  -0.02318   0.00774  -0.01542   2.13914
   D120       0.04563  -0.00021  -0.01927   0.00628  -0.01298   0.03265
   D121       2.25525  -0.00005  -0.01209   0.00503  -0.00705   2.24820
   D122       0.09671  -0.00018  -0.01989   0.00602  -0.01387   0.08283
   D123      -2.01223  -0.00022  -0.01598   0.00456  -0.01143  -2.02366
   D124       1.39091   0.00024   0.00053  -0.01830  -0.01779   1.37313
   D125      -0.77752  -0.00035   0.01344  -0.00698   0.00648  -0.77105
   D126      -2.92050  -0.00013   0.00637  -0.00686  -0.00049  -2.92099
   D127      -2.72291   0.00024  -0.00734  -0.02106  -0.02844  -2.75135
   D128       1.39185  -0.00036   0.00557  -0.00974  -0.00418   1.38767
   D129      -0.75113  -0.00014  -0.00150  -0.00962  -0.01115  -0.76228
   D130      -0.72341   0.00030  -0.00228  -0.01770  -0.02000  -0.74342
   D131      -2.89185  -0.00029   0.01063  -0.00638   0.00426  -2.88759
   D132       1.24836  -0.00007   0.00356  -0.00626  -0.00271   1.24564
   D133       1.09126  -0.00006  -0.04285  -0.04204  -0.08487   1.00638
   D134      -3.10251  -0.00015  -0.04814  -0.04272  -0.09084   3.08984
   D135      -0.99083  -0.00027  -0.05222  -0.04552  -0.09773  -1.08857
   D136      -3.09840   0.00006  -0.03742  -0.04147  -0.07890   3.10589
   D137      -1.00897  -0.00004  -0.04271  -0.04215  -0.08487  -1.09384
   D138       1.10270  -0.00016  -0.04679  -0.04495  -0.09176   1.01094
   D139      -0.98692   0.00000  -0.03877  -0.04124  -0.08001  -1.06693
   D140       1.10250  -0.00010  -0.04407  -0.04191  -0.08598   1.01653
   D141      -3.06901  -0.00022  -0.04815  -0.04471  -0.09287   3.12131
   D142       0.97928   0.00032   0.00031  -0.00293  -0.00263   0.97665
   D143      -2.18288   0.00035   0.00108  -0.00119  -0.00012  -2.18300
   D144      -1.14418  -0.00024   0.00182   0.00013   0.00195  -1.14223
   D145       1.97685  -0.00022   0.00259   0.00186   0.00446   1.98131
   D146       3.08718   0.00010   0.00198   0.00032   0.00229   3.08946
   D147      -0.07498   0.00013   0.00275   0.00205   0.00480  -0.07018
   D148      -0.88832   0.00000  -0.02147  -0.00694  -0.02839  -0.91671
   D149       1.22064   0.00020  -0.02568  -0.01577  -0.04143   1.17921
   D150      -2.98534   0.00020  -0.02078  -0.00824  -0.02900  -3.01434
   D151       1.17754  -0.00009  -0.02264  -0.00802  -0.03067   1.14687
   D152      -2.99668   0.00011  -0.02686  -0.01685  -0.04371  -3.04039
   D153      -0.91948   0.00011  -0.02195  -0.00932  -0.03127  -0.95075
   D154      -2.99689  -0.00017  -0.02115  -0.00893  -0.03010  -3.02698
   D155      -0.88793   0.00004  -0.02537  -0.01776  -0.04314  -0.93106
   D156       1.18928   0.00003  -0.02046  -0.01023  -0.03070   1.15857
   D157       2.15803  -0.00027  -0.00607   0.00030  -0.00579   2.15225
   D158      -1.00002  -0.00033  -0.00648  -0.00592  -0.01241  -1.01243
   D159       0.06930  -0.00016  -0.00590  -0.00135  -0.00725   0.06205
   D160      -3.08875  -0.00022  -0.00631  -0.00757  -0.01387  -3.10262
   D161      -1.98096   0.00060  -0.00852  -0.00142  -0.00995  -1.99091
   D162       1.14417   0.00054  -0.00894  -0.00764  -0.01657   1.12760
   D163       0.89650  -0.00012  -0.01154  -0.00142  -0.01298   0.88352
   D164      -1.23526  -0.00001  -0.01201   0.00009  -0.01192  -1.24718
   D165       3.04235  -0.00010  -0.01207  -0.00161  -0.01370   3.02865
   D166       3.02428  -0.00006  -0.01313  -0.00399  -0.01712   3.00716
   D167       0.89252   0.00004  -0.01359  -0.00248  -0.01606   0.87645
   D168      -1.11306  -0.00005  -0.01366  -0.00418  -0.01784  -1.13090
   D169      -1.25068  -0.00003  -0.01162  -0.00242  -0.01405  -1.26473
   D170       2.90075   0.00007  -0.01209  -0.00092  -0.01299   2.88775
   D171       0.89517  -0.00001  -0.01215  -0.00262  -0.01477   0.88040
   D172      -0.95466  -0.00009   0.00952   0.00298   0.01252  -0.94214
   D173       2.20728  -0.00012   0.00873   0.00124   0.00998   2.21727
   D174       1.18675  -0.00012   0.00984   0.00247   0.01230   1.19905
   D175      -1.93449  -0.00014   0.00904   0.00072   0.00976  -1.92473
   D176      -3.08389  -0.00001   0.01133   0.00255   0.01388  -3.07001
   D177       0.07805  -0.00003   0.01054   0.00080   0.01135   0.08940
   D178       0.01691   0.00044   0.01021   0.00487   0.01507   0.03198
   D179      -3.13188   0.00007   0.00243   0.00217   0.00460  -3.12729
   D180       3.13668   0.00047   0.01106   0.00676   0.01781  -3.12870
   D181      -0.01212   0.00010   0.00327   0.00406   0.00733  -0.00479
   D182      -0.25439   0.00017  -0.00810   0.01347   0.00537  -0.24902
   D183      -2.30390   0.00013  -0.01008   0.01769   0.00762  -2.29628
   D184       1.86389   0.00018  -0.01470   0.01378  -0.00092   1.86296
   D185       2.91542  -0.00009  -0.01494   0.01845   0.00351   2.91893
   D186       0.86591  -0.00014  -0.01692   0.02267   0.00576   0.87167
   D187      -1.24949  -0.00009  -0.02154   0.01876  -0.00279  -1.25227
   D188      -0.00510  -0.00036  -0.00390  -0.00614  -0.01004  -0.01514
   D189       3.13279  -0.00009   0.00212  -0.00565  -0.00353   3.12927
   D190      -3.12937  -0.00030  -0.00344   0.00037  -0.00307  -3.13244
   D191       0.00852  -0.00002   0.00258   0.00086   0.00344   0.01196
   D192      -3.13008   0.00070   0.00054   0.00643   0.00698  -3.12310
   D193       0.05162  -0.00095  -0.01949  -0.01170  -0.03118   0.02043
   D194       0.01819   0.00105   0.00775   0.00892   0.01667   0.03486
   D195      -3.08330  -0.00061  -0.01228  -0.00921  -0.02149  -3.10479
   D196       3.12349  -0.00073  -0.00362  -0.00562  -0.00923   3.11426
   D197      -0.05776   0.00090   0.01619   0.01231   0.02851  -0.02925
   D198      -0.01468  -0.00098  -0.00918  -0.00607  -0.01526  -0.02994
   D199       3.08725   0.00065   0.01063   0.01186   0.02248   3.10974
         Item               Value     Threshold  Converged?
 Maximum Force            0.001797     0.000450     NO 
 RMS     Force            0.000362     0.000300     NO 
 Maximum Displacement     0.478684     0.001800     NO 
 RMS     Displacement     0.068961     0.001200     NO 
 Predicted change in Energy=-6.858898D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C22H29FO5
 Framework group  C1[X(C22H29FO5)]
 Deg. of freedom   165
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          9           0        1.554952    0.045881   -1.394831
      2          8           0       -3.013015    0.263787   -1.805301
      3          8           0        0.362549   -2.234107    1.106199
      4          8           0       -4.881546   -0.171523    1.039492
      5          8           0       -5.553385   -2.466455   -0.224814
      6          8           0        6.470231   -0.219460   -1.409572
      7          6           0       -1.647610   -0.131339    0.209395
      8          6           0       -0.757565    1.127644   -0.034891
      9          6           0        0.627810    0.953096    0.599071
     10          6           0        1.332037   -0.264269   -0.067729
     11          6           0       -3.012329    0.391135   -0.376747
     12          6           0       -1.633173    2.306123    0.422683
     13          6           0       -1.025993   -1.317084   -0.539758
     14          6           0       -3.091546    1.882564    0.092398
     15          6           0        0.445236   -1.552355   -0.155027
     16          6           0        2.770537   -0.480264    0.536409
     17          6           0        1.467803    2.234977    0.459059
     18          6           0       -1.834303   -0.480485    1.686931
     19          6           0        2.901973    2.048214    0.964842
     20          6           0        3.545578    0.828709    0.367039
     21          6           0       -4.234034   -0.437546    0.054409
     22          6           0       -3.759360    2.787774   -0.933261
     23          6           0        2.737401   -0.801841    2.042393
     24          6           0        3.450456   -1.646261   -0.155680
     25          6           0        4.732532    0.894094   -0.253113
     26          6           0       -4.611086   -1.598928   -0.850244
     27          6           0        4.627623   -1.561738   -0.777879
     28          6           0        5.386834   -0.281582   -0.865911
     29          1           0       -0.624457    1.241629   -1.144591
     30          1           0        0.512076    0.717896    1.687353
     31          1           0       -1.523433    2.497380    1.505498
     32          1           0       -1.352225    3.241735   -0.078779
     33          1           0       -1.113020   -1.172675   -1.635397
     34          1           0       -1.587368   -2.248813   -0.307622
     35          1           0       -3.697579    1.905194    1.034072
     36          1           0        0.904482   -2.265718   -0.888564
     37          1           0        0.982131    3.056162    1.022257
     38          1           0        1.489321    2.571136   -0.597443
     39          1           0       -2.201192    0.363062    2.278999
     40          1           0       -2.542880   -1.307777    1.826037
     41          1           0       -0.890396   -0.829913    2.133616
     42          1           0        2.916888    1.969223    2.073270
     43          1           0        3.492054    2.961239    0.733163
     44          1           0       -4.773849    2.436678   -1.167797
     45          1           0       -3.847494    3.813912   -0.555686
     46          1           0       -3.211130    2.834081   -1.879621
     47          1           0        2.157730   -0.061096    2.608241
     48          1           0        2.286352   -1.782705    2.254772
     49          1           0        3.753626   -0.818765    2.459465
     50          1           0       -2.352558    0.872908   -2.206102
     51          1           0        2.917321   -2.597670   -0.097232
     52          1           0        1.235983   -2.564001    1.401815
     53          1           0        5.288201    1.827042   -0.360462
     54          1           0       -3.747578   -2.251359   -1.090196
     55          1           0       -5.048590   -1.224760   -1.801442
     56          1           0        5.105774   -2.415332   -1.260556
     57          1           0       -6.114366   -1.963384    0.412038
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.4196961      0.1034111      0.0946974
 Standard basis: VSTO-6G (5D, 7F)
 There are   141 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   141 basis functions,   846 primitive gaussians,   141 cartesian basis functions
    77 alpha electrons       77 beta electrons
       nuclear repulsion energy      1659.7858384916 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   141 RedAO= F  NBF=   141
 NBsUse=   141 1.00D-04 NBFU=   141
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=982442.
 SCF Done:  E(RPM6) = -0.417613883274     A.U. after   15 cycles
             Convg  =    0.3469D-08             -V/T =  0.9987
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        9          -0.000009516   -0.000291152   -0.000481007
      2        8          -0.001187716    0.001514613    0.000273761
      3        8          -0.002790730   -0.001138832   -0.000284651
      4        8          -0.000761525    0.000133934   -0.001496649
      5        8           0.001221741    0.001054238    0.000655595
      6        8          -0.000446834    0.000061334   -0.000391181
      7        6          -0.000357800   -0.000639917   -0.000627106
      8        6          -0.000154898    0.000252496    0.000199025
      9        6           0.000261293   -0.000158239    0.001289470
     10        6           0.000970002   -0.000769725    0.000639115
     11        6           0.001122994    0.000619175   -0.001088855
     12        6          -0.000831218    0.000983853   -0.001830644
     13        6           0.000104560   -0.000549864   -0.000003461
     14        6           0.000994405   -0.000037598    0.000696180
     15        6           0.000587403    0.001948519    0.000393510
     16        6          -0.000712248   -0.000050603   -0.000172321
     17        6          -0.000775247    0.000632267   -0.000049263
     18        6          -0.000854949    0.000068847    0.000254654
     19        6           0.000201411   -0.000138529   -0.000239660
     20        6          -0.000060746   -0.000491205   -0.000193936
     21        6           0.000889585   -0.000293819    0.003954125
     22        6          -0.000160248    0.000136052   -0.000626094
     23        6           0.000263131    0.000002502    0.000141510
     24        6           0.000147230    0.000709893    0.000310052
     25        6          -0.000464753    0.000363282   -0.000170642
     26        6          -0.000094278   -0.000587088   -0.000785707
     27        6          -0.000601909   -0.000158983   -0.000448733
     28        6           0.000822076   -0.000219289    0.000735852
     29        1           0.000826625   -0.000301299   -0.000692636
     30        1          -0.000192751    0.000299872   -0.000159134
     31        1          -0.000079111    0.000217303    0.000737356
     32        1           0.000395901   -0.001137798    0.000999852
     33        1           0.000022388    0.000231517    0.000048216
     34        1          -0.000120450   -0.000030466    0.000211676
     35        1          -0.000288665   -0.000033275   -0.000419033
     36        1          -0.000283066   -0.000872225   -0.000645064
     37        1           0.000063588   -0.000035951    0.000122459
     38        1          -0.000093086    0.000117017    0.000117297
     39        1           0.000054811   -0.000013908   -0.000181309
     40        1           0.000126640   -0.000063137    0.000021770
     41        1           0.000305806   -0.000127775   -0.000318038
     42        1          -0.000002093    0.000010698    0.000230405
     43        1          -0.000053128    0.000196314   -0.000249382
     44        1           0.000142245   -0.000096928    0.000083330
     45        1          -0.000214657    0.000055158    0.000012120
     46        1           0.000347164    0.000193693    0.000255105
     47        1          -0.000046791   -0.000140669   -0.000038570
     48        1           0.000031393    0.000077526    0.000141193
     49        1           0.000099714   -0.000061190   -0.000095930
     50        1          -0.000589382   -0.000410735   -0.000455677
     51        1          -0.000038024   -0.000244509    0.000088465
     52        1           0.002240093    0.000807296    0.000047625
     53        1           0.000160589   -0.000018625    0.000140357
     54        1          -0.000183257   -0.000244990    0.000235939
     55        1           0.000712252   -0.000413482   -0.000056064
     56        1           0.000314755    0.000091001    0.000153800
     57        1          -0.000980719   -0.001006594   -0.000989071
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.003954125 RMS     0.000680357

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.002227639 RMS     0.000337855
 Search for a local minimum.
 Step number  19 out of a maximum of  342
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   18   19
 DE= -7.60D-04 DEPred=-6.86D-04 R= 1.11D+00
 SS=  1.41D+00  RLast= 6.94D-01 DXNew= 1.8622D+00 2.0813D+00
 Trust test= 1.11D+00 RLast= 6.94D-01 DXMaxT set to 1.86D+00
     Eigenvalues ---    0.00108   0.00196   0.00227   0.00258   0.00278
     Eigenvalues ---    0.00312   0.00449   0.00483   0.00525   0.00608
     Eigenvalues ---    0.00648   0.00706   0.00915   0.01241   0.01375
     Eigenvalues ---    0.01392   0.01447   0.01533   0.01644   0.01698
     Eigenvalues ---    0.01766   0.02098   0.02225   0.02307   0.02491
     Eigenvalues ---    0.03044   0.03272   0.03633   0.03764   0.03785
     Eigenvalues ---    0.03933   0.04066   0.04250   0.04403   0.04554
     Eigenvalues ---    0.04666   0.04787   0.04837   0.04968   0.05006
     Eigenvalues ---    0.05037   0.05126   0.05202   0.05293   0.05346
     Eigenvalues ---    0.05367   0.05410   0.05521   0.05541   0.05598
     Eigenvalues ---    0.05773   0.05900   0.06123   0.06290   0.06730
     Eigenvalues ---    0.06920   0.06969   0.07168   0.07190   0.07339
     Eigenvalues ---    0.07745   0.08045   0.08206   0.08298   0.08339
     Eigenvalues ---    0.08370   0.09097   0.09280   0.09384   0.10615
     Eigenvalues ---    0.11259   0.11765   0.11956   0.13014   0.13663
     Eigenvalues ---    0.13878   0.14688   0.15016   0.15075   0.15740
     Eigenvalues ---    0.15885   0.15983   0.15997   0.15998   0.16000
     Eigenvalues ---    0.16000   0.16008   0.16014   0.16037   0.16066
     Eigenvalues ---    0.16131   0.16217   0.16564   0.17309   0.17654
     Eigenvalues ---    0.18033   0.18527   0.19397   0.19986   0.21244
     Eigenvalues ---    0.21478   0.22435   0.22946   0.23504   0.24167
     Eigenvalues ---    0.24966   0.25147   0.25259   0.26246   0.26477
     Eigenvalues ---    0.26645   0.27500   0.27803   0.27885   0.28411
     Eigenvalues ---    0.28630   0.28752   0.29270   0.29527   0.29986
     Eigenvalues ---    0.30492   0.31101   0.32266   0.32444   0.33318
     Eigenvalues ---    0.33539   0.33767   0.33876   0.33916   0.34001
     Eigenvalues ---    0.34025   0.34057   0.34078   0.34108   0.34117
     Eigenvalues ---    0.34208   0.34238   0.34247   0.34271   0.34300
     Eigenvalues ---    0.34317   0.34350   0.34367   0.34420   0.34475
     Eigenvalues ---    0.34619   0.34837   0.34960   0.35071   0.35377
     Eigenvalues ---    0.35480   0.35592   0.37930   0.42234   0.44063
     Eigenvalues ---    0.45420   0.48205   0.52341   0.52609   0.53487
     Eigenvalues ---    0.54161   0.56195   0.58155   0.89197   0.92469
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    19   18   17   16
 RFO step:  Lambda=-9.15947732D-05.
 DIIS coeffs:      0.82697      0.79991     -0.90373      0.27684
 Iteration  1 RMS(Cart)=  0.02068904 RMS(Int)=  0.00150904
 Iteration  2 RMS(Cart)=  0.00159639 RMS(Int)=  0.00002292
 Iteration  3 RMS(Cart)=  0.00001116 RMS(Int)=  0.00002173
 Iteration  4 RMS(Cart)=  0.00000000 RMS(Int)=  0.00002173
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.60966  -0.00042  -0.00028   0.00001  -0.00028   2.60938
    R2        2.71028  -0.00006   0.00127   0.00059   0.00186   2.71215
    R3        1.85912  -0.00034   0.00085  -0.00061   0.00023   1.85936
    R4        2.71379   0.00011  -0.00059   0.00140   0.00081   2.71460
    R5        1.85068   0.00223  -0.00153   0.00182   0.00029   1.85097
    R6        2.28370   0.00158  -0.00092   0.00232   0.00140   2.28510
    R7        2.69357   0.00002   0.00136  -0.00072   0.00064   2.69420
    R8        1.86438   0.00171  -0.00007   0.00168   0.00161   1.86600
    R9        2.29364  -0.00057   0.00005  -0.00076  -0.00071   2.29294
   R10        2.94997  -0.00007   0.00049  -0.00156  -0.00115   2.94881
   R11        2.97534  -0.00034   0.00263  -0.00156   0.00105   2.97640
   R12        2.89913  -0.00001   0.00026  -0.00187  -0.00159   2.89754
   R13        2.89065   0.00024   0.00020   0.00026   0.00046   2.89111
   R14        2.89791  -0.00077  -0.00172   0.00031  -0.00143   2.89648
   R15        2.90605  -0.00010   0.00019  -0.00078  -0.00059   2.90546
   R16        2.12302  -0.00056   0.00068  -0.00153  -0.00085   2.12216
   R17        2.94126  -0.00033  -0.00071  -0.00046  -0.00121   2.94006
   R18        2.90822  -0.00085   0.00000  -0.00199  -0.00198   2.90624
   R19        2.11537   0.00023   0.00029   0.00037   0.00067   2.11604
   R20        2.95982   0.00061  -0.00042   0.00131   0.00092   2.96074
   R21        2.97650  -0.00061  -0.00088   0.00023  -0.00065   2.97584
   R22        2.95833  -0.00021   0.00109  -0.00161  -0.00050   2.95783
   R23        2.90623  -0.00181  -0.00157  -0.00096  -0.00253   2.90370
   R24        2.93689  -0.00058   0.00114  -0.00293  -0.00176   2.93513
   R25        2.08822  -0.00077   0.00063  -0.00193  -0.00130   2.08692
   R26        2.07506   0.00154  -0.00167   0.00409   0.00242   2.07748
   R27        2.90790   0.00004  -0.00004  -0.00033  -0.00035   2.90755
   R28        2.09483   0.00003   0.00002   0.00015   0.00017   2.09499
   R29        2.10189  -0.00002   0.00050  -0.00064  -0.00014   2.10174
   R30        2.87670  -0.00040  -0.00027   0.00014  -0.00013   2.87658
   R31        2.11661   0.00051   0.00005   0.00222   0.00227   2.11888
   R32        2.11942  -0.00109   0.00102  -0.00334  -0.00232   2.11710
   R33        2.89245  -0.00002  -0.00062   0.00088   0.00025   2.89270
   R34        2.91073  -0.00018  -0.00077  -0.00006  -0.00084   2.90989
   R35        2.86642   0.00040  -0.00173   0.00194   0.00021   2.86664
   R36        2.89538   0.00027  -0.00033   0.00012  -0.00020   2.89518
   R37        2.09360  -0.00006   0.00019  -0.00011   0.00008   2.09368
   R38        2.09552   0.00008  -0.00033   0.00027  -0.00006   2.09546
   R39        2.06726   0.00008  -0.00024   0.00002  -0.00022   2.06704
   R40        2.07512  -0.00013   0.00010  -0.00057  -0.00047   2.07465
   R41        2.08092   0.00036   0.00011   0.00106   0.00117   2.08209
   R42        2.84012  -0.00010   0.00046  -0.00082  -0.00034   2.83979
   R43        2.10013  -0.00023   0.00042  -0.00066  -0.00024   2.09989
   R44        2.10048  -0.00025   0.00047  -0.00065  -0.00018   2.10030
   R45        2.53373  -0.00005   0.00001  -0.00028  -0.00027   2.53346
   R46        2.87175  -0.00163   0.00065  -0.00295  -0.00230   2.86945
   R47        2.07652  -0.00015   0.00014   0.00016   0.00031   2.07682
   R48        2.07293  -0.00003   0.00011   0.00059   0.00070   2.07363
   R49        2.06862   0.00040  -0.00060   0.00036  -0.00024   2.06838
   R50        2.07432   0.00014  -0.00002   0.00037   0.00036   2.07467
   R51        2.07925   0.00002   0.00002  -0.00056  -0.00054   2.07871
   R52        2.07608   0.00013  -0.00035   0.00045   0.00010   2.07618
   R53        2.52121  -0.00014  -0.00017  -0.00032  -0.00049   2.52072
   R54        2.06390  -0.00020   0.00024  -0.00036  -0.00012   2.06378
   R55        2.79389   0.00005   0.00047  -0.00016   0.00032   2.79421
   R56        2.06204   0.00011   0.00000   0.00013   0.00013   2.06217
   R57        2.09486  -0.00025   0.00019  -0.00044  -0.00025   2.09461
   R58        2.10107  -0.00020   0.00062  -0.00032   0.00030   2.10137
   R59        2.81750   0.00014   0.00042  -0.00005   0.00038   2.81788
   R60        2.06164   0.00028  -0.00013   0.00065   0.00052   2.06216
    A1        1.92889  -0.00080   0.00207  -0.00725  -0.00518   1.92372
    A2        1.95375  -0.00135   0.00264  -0.00722  -0.00458   1.94917
    A3        1.92708  -0.00020   0.00455  -0.00346   0.00109   1.92817
    A4        1.73991   0.00033   0.00048   0.00202   0.00246   1.74238
    A5        1.89221  -0.00019  -0.00038  -0.00158  -0.00197   1.89024
    A6        1.98758  -0.00005  -0.00037   0.00079   0.00044   1.98802
    A7        2.01074  -0.00025   0.00033  -0.00116  -0.00081   2.00993
    A8        1.90662  -0.00017  -0.00008  -0.00344  -0.00350   1.90311
    A9        1.92273   0.00031   0.00003   0.00319   0.00322   1.92595
   A10        1.93755   0.00014  -0.00083  -0.00029  -0.00113   1.93642
   A11        1.82022  -0.00035   0.00241  -0.00133   0.00106   1.82127
   A12        1.87963   0.00041  -0.00198   0.00517   0.00319   1.88282
   A13        2.06986   0.00028  -0.00069   0.00259   0.00195   2.07181
   A14        1.88900  -0.00058   0.00125  -0.00663  -0.00539   1.88361
   A15        1.85836   0.00014  -0.00040   0.00127   0.00088   1.85924
   A16        1.89723   0.00031  -0.00173   0.00103  -0.00073   1.89650
   A17        1.93979  -0.00034  -0.00123   0.00042  -0.00078   1.93901
   A18        1.90967  -0.00003   0.00064  -0.00083  -0.00019   1.90948
   A19        1.94502  -0.00001  -0.00039   0.00145   0.00107   1.94610
   A20        1.87438  -0.00009   0.00149  -0.00269  -0.00120   1.87318
   A21        1.89641   0.00017   0.00134   0.00046   0.00179   1.89821
   A22        1.88502  -0.00014  -0.00023   0.00014  -0.00009   1.88493
   A23        1.79521   0.00033  -0.00147   0.00328   0.00180   1.79701
   A24        1.82551  -0.00015  -0.00177   0.00132  -0.00045   1.82506
   A25        1.99427  -0.00028   0.00207  -0.00445  -0.00239   1.99188
   A26        1.93495   0.00027  -0.00004   0.00138   0.00132   1.93627
   A27        2.01052  -0.00003   0.00083  -0.00086   0.00001   2.01053
   A28        1.91958   0.00073  -0.00207  -0.00003  -0.00214   1.91744
   A29        1.96391   0.00033   0.00270   0.00740   0.01012   1.97403
   A30        1.80392  -0.00121  -0.00093  -0.00934  -0.01044   1.79348
   A31        1.82186  -0.00046   0.00069  -0.00110  -0.00041   1.82145
   A32        1.98819   0.00041  -0.00130   0.00099  -0.00033   1.98786
   A33        1.97049   0.00029   0.00103   0.00256   0.00363   1.97411
   A34        1.83611  -0.00001   0.00118  -0.00133  -0.00020   1.83591
   A35        1.94728   0.00009  -0.00049   0.00175   0.00128   1.94856
   A36        1.95130  -0.00015   0.00007  -0.00168  -0.00159   1.94971
   A37        1.92688  -0.00010  -0.00030   0.00093   0.00063   1.92751
   A38        1.95546   0.00009   0.00013  -0.00133  -0.00115   1.95431
   A39        1.84898   0.00008  -0.00062   0.00167   0.00103   1.85001
   A40        1.96435   0.00024  -0.00092   0.00250   0.00155   1.96590
   A41        1.92852   0.00010  -0.00146  -0.00019  -0.00163   1.92689
   A42        1.91881  -0.00015   0.00110  -0.00088   0.00022   1.91903
   A43        1.91994  -0.00019   0.00103   0.00073   0.00173   1.92166
   A44        1.87789   0.00007   0.00035  -0.00011   0.00027   1.87817
   A45        1.85020  -0.00008   0.00003  -0.00235  -0.00233   1.84787
   A46        1.85027   0.00036  -0.00011   0.00248   0.00233   1.85259
   A47        1.96795  -0.00031   0.00105   0.00023   0.00128   1.96923
   A48        1.87400  -0.00006  -0.00082  -0.00197  -0.00278   1.87122
   A49        1.97446  -0.00002   0.00110  -0.00117  -0.00006   1.97440
   A50        1.90028  -0.00015  -0.00012   0.00013   0.00002   1.90029
   A51        1.89344   0.00016  -0.00118   0.00024  -0.00094   1.89250
   A52        1.95419   0.00001  -0.00051   0.00028  -0.00021   1.95398
   A53        1.81019   0.00012  -0.00161   0.00122  -0.00040   1.80979
   A54        1.87133   0.00006  -0.00047   0.00166   0.00118   1.87251
   A55        2.01476  -0.00025   0.00066  -0.00100  -0.00040   2.01436
   A56        1.90466   0.00000   0.00023  -0.00128  -0.00107   1.90359
   A57        1.90204   0.00008   0.00168  -0.00057   0.00111   1.90315
   A58        1.87835  -0.00016  -0.00060   0.00068   0.00007   1.87843
   A59        1.96492   0.00029   0.00048   0.00123   0.00171   1.96663
   A60        1.91748  -0.00011  -0.00018  -0.00059  -0.00075   1.91673
   A61        1.87300  -0.00010   0.00013  -0.00133  -0.00121   1.87179
   A62        1.96051   0.00016   0.00059   0.00015   0.00073   1.96124
   A63        1.87053  -0.00007  -0.00037  -0.00013  -0.00050   1.87003
   A64        1.95988   0.00007   0.00076  -0.00054   0.00018   1.96006
   A65        1.90909   0.00001  -0.00063   0.00079   0.00018   1.90926
   A66        1.92813  -0.00011  -0.00025  -0.00074  -0.00098   1.92714
   A67        1.91015  -0.00005   0.00052  -0.00033   0.00022   1.91036
   A68        1.91060   0.00007  -0.00062   0.00069   0.00006   1.91066
   A69        1.84226   0.00000   0.00019   0.00018   0.00036   1.84262
   A70        1.96894   0.00015   0.00043   0.00078   0.00121   1.97015
   A71        1.95312  -0.00002  -0.00015   0.00063   0.00048   1.95359
   A72        1.93867   0.00012  -0.00036  -0.00056  -0.00092   1.93775
   A73        1.87126  -0.00003  -0.00048   0.00140   0.00092   1.87218
   A74        1.88875  -0.00024   0.00013  -0.00179  -0.00166   1.88710
   A75        1.83658   0.00000   0.00044  -0.00057  -0.00013   1.83645
   A76        1.94813  -0.00024   0.00051  -0.00121  -0.00073   1.94741
   A77        1.92887   0.00009  -0.00034   0.00072   0.00039   1.92926
   A78        1.90497   0.00013  -0.00068   0.00118   0.00051   1.90548
   A79        1.91059   0.00012   0.00006   0.00000   0.00007   1.91067
   A80        1.93507   0.00001   0.00010  -0.00021  -0.00009   1.93498
   A81        1.83294  -0.00009   0.00032  -0.00043  -0.00011   1.83282
   A82        2.01869   0.00002  -0.00029   0.00059   0.00029   2.01897
   A83        2.14260  -0.00022   0.00009  -0.00084  -0.00078   2.14181
   A84        2.12176   0.00020   0.00020   0.00027   0.00052   2.12228
   A85        2.13596   0.00073  -0.00034   0.00184   0.00147   2.13743
   A86        2.11828   0.00001   0.00084  -0.00025   0.00057   2.11886
   A87        2.02863  -0.00073  -0.00040  -0.00141  -0.00183   2.02680
   A88        1.93780   0.00017  -0.00051   0.00084   0.00032   1.93812
   A89        1.93862   0.00019  -0.00059   0.00016  -0.00043   1.93819
   A90        1.96918  -0.00041   0.00099   0.00094   0.00193   1.97111
   A91        1.87358  -0.00016  -0.00009  -0.00201  -0.00210   1.87148
   A92        1.86645   0.00005   0.00077   0.00108   0.00185   1.86830
   A93        1.87364   0.00016  -0.00056  -0.00119  -0.00174   1.87190
   A94        1.95464  -0.00003   0.00020  -0.00024  -0.00004   1.95460
   A95        1.96455  -0.00021   0.00054  -0.00136  -0.00082   1.96373
   A96        1.93317   0.00009  -0.00132   0.00100  -0.00031   1.93286
   A97        1.86043   0.00013   0.00036  -0.00062  -0.00025   1.86017
   A98        1.87882  -0.00004   0.00008   0.00003   0.00010   1.87893
   A99        1.86731   0.00006   0.00017   0.00125   0.00142   1.86873
   A100       2.16468  -0.00018   0.00003  -0.00068  -0.00069   2.16399
   A101       2.01131  -0.00001  -0.00075  -0.00007  -0.00080   2.01051
   A102       2.10697   0.00019   0.00073   0.00071   0.00147   2.10843
   A103       2.14684   0.00024  -0.00026   0.00105   0.00074   2.14758
   A104       2.13886   0.00006   0.00012   0.00069   0.00081   2.13967
   A105       1.99736  -0.00030   0.00015  -0.00174  -0.00159   1.99577
   A106       1.94761  -0.00026   0.00034   0.00042   0.00075   1.94836
   A107       1.82526   0.00009   0.00074  -0.00056   0.00018   1.82544
   A108       1.89660   0.00077  -0.00108   0.00502   0.00394   1.90055
   A109       1.96641   0.00014   0.00049   0.00017   0.00065   1.96706
   A110       1.92808  -0.00052  -0.00011  -0.00231  -0.00243   1.92565
   A111       1.89589  -0.00017  -0.00040  -0.00248  -0.00288   1.89300
   A112       2.13084   0.00011   0.00015   0.00060   0.00072   2.13156
   A113       2.14536   0.00018  -0.00031   0.00125   0.00094   2.14630
   A114       2.00699  -0.00030   0.00017  -0.00184  -0.00167   2.00532
   A115       2.14122   0.00007   0.00018   0.00018   0.00027   2.14148
   A116       2.12341   0.00005   0.00024   0.00015   0.00029   2.12370
   A117       2.01855  -0.00012  -0.00016  -0.00032  -0.00060   2.01795
    D1       -1.16858  -0.00036  -0.03430  -0.16130  -0.19554  -1.36412
    D2        0.85446  -0.00027  -0.03304  -0.15820  -0.19127   0.66319
    D3        2.98557  -0.00051  -0.03104  -0.15706  -0.18814   2.79743
    D4       -1.10737  -0.00033   0.00784  -0.02405  -0.01618  -1.12356
    D5        2.99218  -0.00011   0.00851  -0.02380  -0.01530   2.97688
    D6        0.98119  -0.00028   0.00755  -0.02440  -0.01686   0.96432
    D7        0.50842  -0.00011  -0.00400  -0.00279  -0.00678   0.50164
    D8        2.63920  -0.00002  -0.00275  -0.00271  -0.00546   2.63374
    D9       -1.62179   0.00019  -0.00333  -0.00357  -0.00690  -1.62869
   D10        3.02911   0.00038  -0.00502   0.00300  -0.00200   3.02711
   D11        0.78072   0.00018  -0.00532   0.00089  -0.00445   0.77627
   D12       -1.18905   0.00001  -0.00519  -0.00206  -0.00725  -1.19630
   D13       -1.14550   0.00018  -0.00457   0.00206  -0.00250  -1.14800
   D14        2.88929  -0.00002  -0.00487  -0.00005  -0.00495   2.88434
   D15        0.91952  -0.00019  -0.00474  -0.00301  -0.00774   0.91178
   D16        1.00137   0.00041  -0.00505   0.00553   0.00049   1.00186
   D17       -1.24702   0.00021  -0.00536   0.00342  -0.00196  -1.24898
   D18        3.06639   0.00004  -0.00523   0.00047  -0.00476   3.06164
   D19        1.41744   0.00038   0.00489   0.01271   0.01757   1.43501
   D20       -0.69328  -0.00012   0.00231   0.00460   0.00694  -0.68634
   D21       -2.85026  -0.00041   0.00130   0.00158   0.00290  -2.84737
   D22       -0.60293   0.00051   0.00492   0.01383   0.01874  -0.58419
   D23       -2.71364   0.00001   0.00235   0.00572   0.00811  -2.70553
   D24        1.41255  -0.00028   0.00133   0.00270   0.00407   1.41662
   D25       -2.77760   0.00041   0.00469   0.01325   0.01790  -2.75969
   D26        1.39487  -0.00008   0.00211   0.00514   0.00727   1.40214
   D27       -0.76212  -0.00037   0.00110   0.00212   0.00323  -0.75889
   D28        0.95822  -0.00010   0.00021  -0.00085  -0.00064   0.95757
   D29       -1.19572  -0.00009   0.00066  -0.00347  -0.00280  -1.19852
   D30        3.05125   0.00003   0.00081   0.00005   0.00087   3.05212
   D31        2.88957   0.00005   0.00074   0.00002   0.00071   2.89028
   D32        0.73563   0.00006   0.00119  -0.00259  -0.00145   0.73418
   D33       -1.30058   0.00019   0.00134   0.00092   0.00223  -1.29836
   D34       -1.22739  -0.00011   0.00091  -0.00289  -0.00199  -1.22938
   D35        2.90186  -0.00010   0.00136  -0.00550  -0.00415   2.89771
   D36        0.86564   0.00002   0.00151  -0.00198  -0.00047   0.86517
   D37        0.93143   0.00010  -0.00394   0.00440   0.00045   0.93188
   D38        3.04345   0.00015  -0.00436   0.00725   0.00288   3.04633
   D39       -1.19276   0.00021  -0.00414   0.00657   0.00241  -1.19035
   D40       -0.99639  -0.00017  -0.00428   0.00358  -0.00067  -0.99706
   D41        1.11563  -0.00012  -0.00470   0.00644   0.00175   1.11739
   D42       -3.12058  -0.00006  -0.00448   0.00575   0.00129  -3.11929
   D43        3.06155   0.00005  -0.00467   0.00530   0.00062   3.06217
   D44       -1.10961   0.00010  -0.00509   0.00815   0.00305  -1.10656
   D45        0.93736   0.00016  -0.00487   0.00747   0.00258   0.93994
   D46        1.07483   0.00027   0.00240   0.00417   0.00653   1.08136
   D47       -3.06152   0.00025  -0.00006   0.00697   0.00687  -3.05465
   D48       -0.96718   0.00022   0.00124   0.00726   0.00849  -0.95869
   D49       -3.10173   0.00013   0.00447   0.00408   0.00851  -3.09322
   D50       -0.95491   0.00011   0.00201   0.00689   0.00885  -0.94606
   D51        1.13944   0.00008   0.00331   0.00718   0.01047   1.14991
   D52       -0.98451   0.00004   0.00450   0.00208   0.00658  -0.97794
   D53        1.16231   0.00002   0.00204   0.00489   0.00692   1.16923
   D54       -3.02652  -0.00001   0.00334   0.00518   0.00854  -3.01799
   D55       -0.57200   0.00002   0.00603  -0.00496   0.00111  -0.57089
   D56        1.51764  -0.00005   0.00613  -0.00370   0.00243   1.52007
   D57       -2.69845   0.00001   0.00506  -0.00153   0.00354  -2.69491
   D58       -2.73754  -0.00006   0.00558  -0.00522   0.00040  -2.73713
   D59       -0.64790  -0.00014   0.00568  -0.00396   0.00173  -0.64617
   D60        1.41920  -0.00007   0.00461  -0.00180   0.00283   1.42203
   D61        1.41296   0.00039   0.00471   0.00077   0.00550   1.41846
   D62       -2.78059   0.00032   0.00481   0.00203   0.00683  -2.77376
   D63       -0.71349   0.00038   0.00374   0.00420   0.00793  -0.70556
   D64        1.14006  -0.00005   0.00034  -0.00395  -0.00360   1.13646
   D65       -0.84569  -0.00022   0.00116  -0.00561  -0.00444  -0.85012
   D66        3.13046  -0.00016  -0.00192  -0.00158  -0.00350   3.12697
   D67       -1.00362   0.00018   0.00333  -0.00615  -0.00282  -1.00644
   D68       -2.98936   0.00001   0.00415  -0.00780  -0.00366  -2.99302
   D69        0.98679   0.00006   0.00107  -0.00378  -0.00272   0.98407
   D70       -3.07869   0.00003   0.00099  -0.00587  -0.00488  -3.08357
   D71        1.21875  -0.00014   0.00181  -0.00752  -0.00571   1.21303
   D72       -1.08829  -0.00009  -0.00127  -0.00349  -0.00478  -1.09306
   D73       -3.04731  -0.00013   0.00496  -0.00345   0.00155  -3.04577
   D74        1.11163  -0.00012   0.00423  -0.00323   0.00102   1.11266
   D75       -0.90895  -0.00007   0.00451  -0.00348   0.00105  -0.90790
   D76       -0.92821   0.00002   0.00163  -0.00083   0.00082  -0.92739
   D77       -3.05245   0.00003   0.00090  -0.00061   0.00029  -3.05216
   D78        1.21016   0.00008   0.00118  -0.00086   0.00031   1.21047
   D79        1.13367   0.00001   0.00408  -0.00298   0.00110   1.13477
   D80       -0.99057   0.00002   0.00334  -0.00276   0.00058  -0.98999
   D81       -3.01115   0.00007   0.00363  -0.00301   0.00060  -3.01055
   D82        2.89437   0.00013  -0.00167   0.00337   0.00170   2.89607
   D83       -1.32309   0.00012  -0.00374   0.00447   0.00073  -1.32236
   D84        0.82547   0.00004  -0.00091   0.00197   0.00106   0.82653
   D85       -1.35056   0.00003  -0.00186   0.00342   0.00155  -1.34900
   D86        0.71517   0.00002  -0.00393   0.00453   0.00058   0.71575
   D87        2.86373  -0.00005  -0.00111   0.00203   0.00091   2.86464
   D88        0.91968   0.00012   0.00097   0.00019   0.00114   0.92082
   D89        2.98540   0.00011  -0.00110   0.00129   0.00017   2.98557
   D90       -1.14922   0.00003   0.00173  -0.00121   0.00050  -1.14872
   D91        1.05312  -0.00008  -0.00402   0.00745   0.00344   1.05657
   D92        3.11356  -0.00014  -0.00397   0.00697   0.00299   3.11655
   D93       -1.08645  -0.00011  -0.00425   0.00720   0.00296  -1.08348
   D94       -0.97442   0.00004  -0.00275   0.00590   0.00317  -0.97125
   D95        1.08601  -0.00002  -0.00270   0.00542   0.00272   1.08873
   D96       -3.11399   0.00000  -0.00298   0.00565   0.00269  -3.11130
   D97        3.01006   0.00021  -0.00649   0.01179   0.00533   3.01539
   D98       -1.21269   0.00015  -0.00645   0.01131   0.00489  -1.20780
   D99        0.87049   0.00018  -0.00672   0.01154   0.00485   0.87534
   D100      -1.71849  -0.00074   0.00234  -0.01131  -0.00897  -1.72746
   D101       0.45093  -0.00071   0.00428  -0.01089  -0.00658   0.44435
   D102       2.53553  -0.00073   0.00292  -0.01175  -0.00880   2.52673
   D103       0.36246   0.00002   0.00172  -0.00813  -0.00645   0.35601
   D104       2.53188   0.00005   0.00366  -0.00771  -0.00406   2.52782
   D105      -1.66670   0.00004   0.00230  -0.00857  -0.00628  -1.67299
   D106       2.53085   0.00039   0.00120  -0.00613  -0.00497   2.52588
   D107      -1.58292   0.00042   0.00314  -0.00571  -0.00258  -1.58549
   D108       0.50169   0.00040   0.00178  -0.00657  -0.00480   0.49688
   D109      -2.60813  -0.00005  -0.00177   0.00113  -0.00063  -2.60876
   D110       0.50682   0.00014   0.00200   0.00877   0.01077   0.51759
   D111       1.59270  -0.00037   0.00214   0.00665   0.00876   1.60146
   D112      -1.57554  -0.00018   0.00591   0.01428   0.02016  -1.55538
   D113      -0.48143  -0.00028   0.00135   0.00548   0.00685  -0.47458
   D114       2.63351  -0.00009   0.00512   0.01312   0.01826   2.65177
   D115       0.12445   0.00003  -0.00506   0.00809   0.00303   0.12749
   D116      -2.04091   0.00017  -0.00698   0.00678  -0.00021  -2.04112
   D117       2.13578   0.00008  -0.00613   0.00715   0.00101   2.13680
   D118      -1.97868  -0.00002  -0.00502   0.00629   0.00128  -1.97739
   D119       2.13914   0.00012  -0.00694   0.00498  -0.00196   2.13719
   D120       0.03265   0.00003  -0.00608   0.00534  -0.00074   0.03192
   D121       2.24820  -0.00012  -0.00412   0.00444   0.00032   2.24852
   D122       0.08283   0.00002  -0.00604   0.00313  -0.00292   0.07991
   D123      -2.02366  -0.00007  -0.00519   0.00349  -0.00170  -2.02536
   D124       1.37313  -0.00015   0.00257  -0.00248   0.00007   1.37320
   D125      -0.77105  -0.00010   0.00397  -0.00312   0.00086  -0.77018
   D126      -2.92099   0.00002   0.00194  -0.00025   0.00169  -2.91931
   D127      -2.75135   0.00001   0.00078  -0.00040   0.00036  -2.75099
   D128       1.38767   0.00006   0.00219  -0.00103   0.00115   1.38882
   D129      -0.76228   0.00017   0.00015   0.00184   0.00197  -0.76031
   D130      -0.74342  -0.00015   0.00153  -0.00287  -0.00135  -0.74477
   D131      -2.88759  -0.00010   0.00293  -0.00350  -0.00056  -2.88815
   D132       1.24564   0.00002   0.00090  -0.00063   0.00026   1.24590
   D133       1.00638  -0.00022  -0.00297  -0.02804  -0.03100   0.97538
   D134       3.08984  -0.00017  -0.00382  -0.02991  -0.03372   3.05611
   D135      -1.08857  -0.00012  -0.00427  -0.03067  -0.03494  -1.12350
   D136       3.10589   0.00002  -0.00156  -0.02547  -0.02704   3.07885
   D137      -1.09384   0.00006  -0.00241  -0.02734  -0.02976  -1.12360
   D138       1.01094   0.00011  -0.00286  -0.02810  -0.03097   0.97997
   D139      -1.06693  -0.00007  -0.00181  -0.02589  -0.02771  -1.09464
   D140       1.01653  -0.00002  -0.00267  -0.02776  -0.03043   0.98610
   D141       3.12131   0.00003  -0.00311  -0.02853  -0.03164   3.08967
   D142       0.97665   0.00003   0.00121  -0.00214  -0.00095   0.97570
   D143      -2.18300   0.00009   0.00146  -0.00080   0.00065  -2.18234
   D144      -1.14223  -0.00016   0.00090  -0.00324  -0.00234  -1.14457
   D145       1.98131  -0.00010   0.00116  -0.00190  -0.00074   1.98057
   D146       3.08946  -0.00010   0.00094  -0.00233  -0.00139   3.08808
   D147      -0.07018  -0.00005   0.00120  -0.00099   0.00021  -0.06996
   D148      -0.91671   0.00005  -0.00032  -0.00621  -0.00652  -0.92323
   D149       1.17921   0.00005   0.00068  -0.00814  -0.00745   1.17176
   D150      -3.01434   0.00005   0.00035  -0.00677  -0.00641  -3.02075
   D151       1.14687  -0.00005  -0.00071  -0.00551  -0.00622   1.14066
   D152      -3.04039  -0.00004   0.00030  -0.00744  -0.00715  -3.04754
   D153      -0.95075  -0.00005  -0.00003  -0.00607  -0.00611  -0.95686
   D154      -3.02698   0.00005  -0.00015  -0.00614  -0.00629  -3.03328
   D155      -0.93106   0.00006   0.00086  -0.00807  -0.00722  -0.93829
   D156       1.15857   0.00005   0.00052  -0.00670  -0.00618   1.15239
   D157       2.15225  -0.00010  -0.00237   0.00298   0.00061   2.15285
   D158      -1.01243  -0.00009  -0.00138   0.00112  -0.00026  -1.01269
   D159       0.06205   0.00007  -0.00187   0.00243   0.00055   0.06260
   D160      -3.10262   0.00008  -0.00088   0.00056  -0.00032  -3.10294
   D161      -1.99091   0.00015  -0.00212   0.00405   0.00193  -1.98898
   D162       1.12760   0.00015  -0.00113   0.00219   0.00106   1.12866
   D163       0.88352   0.00008  -0.00254   0.00354   0.00099   0.88451
   D164      -1.24718   0.00003  -0.00273   0.00386   0.00112  -1.24606
   D165       3.02865   0.00002  -0.00253   0.00329   0.00075   3.02940
   D166       3.00716   0.00011  -0.00246   0.00395   0.00149   3.00865
   D167       0.87645   0.00006  -0.00265   0.00428   0.00163   0.87808
   D168      -1.13090   0.00004  -0.00246   0.00371   0.00125  -1.12965
   D169      -1.26473   0.00012  -0.00229   0.00436   0.00208  -1.26265
   D170       2.88775   0.00007  -0.00248   0.00469   0.00221   2.88997
   D171       0.88040   0.00006  -0.00228   0.00412   0.00184   0.88224
   D172      -0.94214  -0.00004   0.00126  -0.00239  -0.00113  -0.94327
   D173       2.21727  -0.00010   0.00101  -0.00371  -0.00270   2.21457
   D174       1.19905  -0.00001   0.00122  -0.00229  -0.00107   1.19798
   D175      -1.92473  -0.00006   0.00096  -0.00360  -0.00264  -1.92737
   D176      -3.07001  -0.00005   0.00171  -0.00292  -0.00121  -3.07122
   D177       0.08940  -0.00010   0.00145  -0.00424  -0.00278   0.08662
   D178       0.03198   0.00001   0.00231   0.00037   0.00269   0.03467
   D179      -3.12729  -0.00002  -0.00001  -0.00001  -0.00002  -3.12731
   D180      -3.12870   0.00007   0.00259   0.00179   0.00438  -3.12433
   D181      -0.00479   0.00004   0.00026   0.00141   0.00167  -0.00312
   D182      -0.24902  -0.00005  -0.00433   0.00411  -0.00022  -0.24924
   D183      -2.29628  -0.00008  -0.00581   0.00442  -0.00139  -2.29767
   D184       1.86296   0.00041  -0.00555   0.00917   0.00362   1.86658
   D185       2.91893  -0.00024  -0.00803  -0.00348  -0.01151   2.90742
   D186       0.87167  -0.00028  -0.00952  -0.00316  -0.01268   0.85899
   D187      -1.25227   0.00021  -0.00925   0.00158  -0.00767  -1.25994
   D188      -0.01514  -0.00005  -0.00099  -0.00313  -0.00412  -0.01926
   D189       3.12927  -0.00004   0.00132  -0.00325  -0.00193   3.12734
   D190      -3.13244  -0.00006  -0.00202  -0.00116  -0.00317  -3.13561
   D191       0.01196  -0.00005   0.00029  -0.00127  -0.00099   0.01098
   D192      -3.12310   0.00008   0.00236   0.00408   0.00644  -3.11665
   D193       0.02043   0.00000  -0.00510  -0.00083  -0.00592   0.01451
   D194       0.03486   0.00010   0.00451   0.00442   0.00893   0.04379
   D195      -3.10479   0.00002  -0.00294  -0.00049  -0.00343  -3.10822
   D196       3.11426  -0.00006  -0.00298  -0.00265  -0.00562   3.10864
   D197      -0.02925   0.00002   0.00439   0.00220   0.00660  -0.02265
   D198      -0.02994  -0.00007  -0.00510  -0.00254  -0.00764  -0.03758
   D199       3.10974   0.00001   0.00227   0.00231   0.00458   3.11432
         Item               Value     Threshold  Converged?
 Maximum Force            0.002228     0.000450     NO 
 RMS     Force            0.000338     0.000300     NO 
 Maximum Displacement     0.265315     0.001800     NO 
 RMS     Displacement     0.020902     0.001200     NO 
 Predicted change in Energy=-2.179504D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C22H29FO5
 Framework group  C1[X(C22H29FO5)]
 Deg. of freedom   165
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          9           0        1.555274    0.054986   -1.393654
      2          8           0       -3.020212    0.249432   -1.806818
      3          8           0        0.357946   -2.239683    1.094327
      4          8           0       -4.888286   -0.160028    1.033312
      5          8           0       -5.528994   -2.478533   -0.205746
      6          8           0        6.470031   -0.204564   -1.406627
      7          6           0       -1.648980   -0.129197    0.206369
      8          6           0       -0.755547    1.127695   -0.032360
      9          6           0        0.626403    0.946882    0.605485
     10          6           0        1.331398   -0.264879   -0.069174
     11          6           0       -3.013665    0.395786   -0.379109
     12          6           0       -1.629618    2.308345    0.421494
     13          6           0       -1.028117   -1.311461   -0.547176
     14          6           0       -3.086828    1.888633    0.085597
     15          6           0        0.442492   -1.551587   -0.163816
     16          6           0        2.769364   -0.486330    0.533356
     17          6           0        1.466135    2.229163    0.479846
     18          6           0       -1.841791   -0.481427    1.682640
     19          6           0        2.898938    2.037948    0.987513
     20          6           0        3.543819    0.824932    0.378434
     21          6           0       -4.235081   -0.430680    0.052350
     22          6           0       -3.748229    2.795516   -0.942637
     23          6           0        2.738223   -0.823391    2.035539
     24          6           0        3.449306   -1.645118   -0.170953
     25          6           0        4.730613    0.896697   -0.241010
     26          6           0       -4.595533   -1.606273   -0.838570
     27          6           0        4.626644   -1.553426   -0.791254
     28          6           0        5.384034   -0.271330   -0.869579
     29          1           0       -0.612386    1.243525   -1.140159
     30          1           0        0.505722    0.700386    1.691090
     31          1           0       -1.523604    2.501282    1.503679
     32          1           0       -1.344210    3.242876   -0.082266
     33          1           0       -1.116895   -1.161503   -1.642017
     34          1           0       -1.591292   -2.243506   -0.321112
     35          1           0       -3.697515    1.913983    1.025622
     36          1           0        0.901296   -2.260010   -0.900534
     37          1           0        0.978797    3.045294    1.049001
     38          1           0        1.490212    2.574119   -0.573729
     39          1           0       -2.209190    0.360611    2.276320
     40          1           0       -2.550367   -1.309077    1.817590
     41          1           0       -0.898735   -0.831863    2.131849
     42          1           0        2.911329    1.947384    2.094958
     43          1           0        3.489622    2.953198    0.766867
     44          1           0       -4.752316    2.431674   -1.201960
     45          1           0       -3.862499    3.815088   -0.553381
     46          1           0       -3.181497    2.866150   -1.876365
     47          1           0        2.163978   -0.085283    2.610656
     48          1           0        2.281408   -1.803379    2.237928
     49          1           0        3.755549   -0.850108    2.449545
     50          1           0       -2.492542    0.967120   -2.224677
     51          1           0        2.915640   -2.596686   -0.121841
     52          1           0        1.230175   -2.583289    1.378149
     53          1           0        5.287104    1.830274   -0.338926
     54          1           0       -3.723897   -2.250667   -1.070089
     55          1           0       -5.031332   -1.246042   -1.796096
     56          1           0        5.107074   -2.401514   -1.281925
     57          1           0       -6.094855   -1.976882    0.429228
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.4191330      0.1035525      0.0947894
 Standard basis: VSTO-6G (5D, 7F)
 There are   141 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   141 basis functions,   846 primitive gaussians,   141 cartesian basis functions
    77 alpha electrons       77 beta electrons
       nuclear repulsion energy      1659.9235960421 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   141 RedAO= F  NBF=   141
 NBsUse=   141 1.00D-04 NBFU=   141
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=982442.
 SCF Done:  E(RPM6) = -0.417815297025     A.U. after   13 cycles
             Convg  =    0.6499D-08             -V/T =  0.9987
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        9           0.000050853   -0.000111650   -0.000429800
      2        8           0.000256145   -0.000428527    0.000016816
      3        8          -0.002334165   -0.001336266   -0.000065595
      4        8          -0.000748323    0.000045601   -0.000596525
      5        8           0.001111245    0.000737524    0.000810811
      6        8          -0.000172896   -0.000044878    0.000322875
      7        6          -0.000841671   -0.001022346   -0.000132422
      8        6          -0.000439670    0.000165927    0.000573798
      9        6           0.000328144   -0.000015401    0.000295356
     10        6           0.000858316   -0.000441560    0.000507212
     11        6           0.001043871    0.000641912   -0.000474992
     12        6          -0.000628266    0.000520605   -0.001161003
     13        6           0.000004637    0.000111179   -0.000114852
     14        6           0.000176064    0.000401690    0.000233893
     15        6           0.000176748    0.001401832    0.000385499
     16        6          -0.000639247   -0.000218201   -0.000008843
     17        6          -0.000498127    0.000219201   -0.000068582
     18        6          -0.000188224    0.000231266    0.000127591
     19        6           0.000343435   -0.000181609   -0.000345727
     20        6          -0.000077171   -0.000242736    0.000039359
     21        6           0.000579712    0.000221601    0.000725920
     22        6          -0.000544533    0.000156944   -0.000451269
     23        6           0.000104972   -0.000093457   -0.000035790
     24        6           0.000026478    0.000587483    0.000101897
     25        6          -0.000358105    0.000183466    0.000535968
     26        6          -0.000750029   -0.000352555   -0.000438524
     27        6          -0.000374249   -0.000137875    0.000370695
     28        6           0.000705277    0.000089912   -0.001042985
     29        1           0.000242192   -0.000144129   -0.000440294
     30        1          -0.000056231    0.000147915   -0.000120553
     31        1          -0.000011234    0.000169875    0.000456580
     32        1           0.000316505   -0.000775154    0.000573363
     33        1           0.000050441   -0.000109286    0.000321489
     34        1          -0.000104025    0.000031676    0.000125220
     35        1          -0.000092036   -0.000037847   -0.000131490
     36        1          -0.000171228   -0.000472872   -0.000354071
     37        1           0.000126991   -0.000053916    0.000121337
     38        1          -0.000026918    0.000011051    0.000171091
     39        1           0.000000463   -0.000039277   -0.000081790
     40        1           0.000101113    0.000010046    0.000014806
     41        1           0.000114749   -0.000098017   -0.000130118
     42        1          -0.000045947   -0.000001898    0.000161157
     43        1          -0.000055622    0.000154955   -0.000230213
     44        1          -0.000009651   -0.000186129   -0.000013935
     45        1          -0.000094447    0.000063895    0.000022776
     46        1           0.000579720    0.000140621    0.000329721
     47        1           0.000010442   -0.000051653   -0.000002711
     48        1           0.000025937    0.000181881    0.000020670
     49        1           0.000041982   -0.000031796   -0.000130795
     50        1          -0.000199960    0.000360847    0.000441766
     51        1           0.000074475   -0.000192536    0.000084100
     52        1           0.002122987    0.000913924   -0.000293460
     53        1           0.000081755   -0.000051301    0.000030573
     54        1          -0.000026891   -0.000086819    0.000138510
     55        1           0.000315302   -0.000038258   -0.000177217
     56        1           0.000166344    0.000066668    0.000057954
     57        1          -0.000648429   -0.000971545   -0.000645248
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.002334165 RMS     0.000471617

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.002277042 RMS     0.000226267
 Search for a local minimum.
 Step number  20 out of a maximum of  342
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   19   20
 DE= -2.01D-04 DEPred=-2.18D-04 R= 9.24D-01
 SS=  1.41D+00  RLast= 3.54D-01 DXNew= 3.1318D+00 1.0622D+00
 Trust test= 9.24D-01 RLast= 3.54D-01 DXMaxT set to 1.86D+00
     Eigenvalues ---    0.00155   0.00183   0.00225   0.00263   0.00274
     Eigenvalues ---    0.00314   0.00431   0.00483   0.00525   0.00580
     Eigenvalues ---    0.00646   0.00706   0.00867   0.01239   0.01367
     Eigenvalues ---    0.01392   0.01446   0.01535   0.01654   0.01699
     Eigenvalues ---    0.01767   0.02099   0.02226   0.02308   0.02484
     Eigenvalues ---    0.03037   0.03283   0.03649   0.03759   0.03845
     Eigenvalues ---    0.03946   0.04077   0.04258   0.04401   0.04555
     Eigenvalues ---    0.04678   0.04762   0.04828   0.04966   0.05003
     Eigenvalues ---    0.05037   0.05128   0.05198   0.05294   0.05345
     Eigenvalues ---    0.05367   0.05409   0.05514   0.05536   0.05597
     Eigenvalues ---    0.05764   0.05900   0.06121   0.06284   0.06761
     Eigenvalues ---    0.06910   0.06967   0.07165   0.07190   0.07346
     Eigenvalues ---    0.07761   0.08007   0.08203   0.08316   0.08340
     Eigenvalues ---    0.08365   0.09108   0.09237   0.09338   0.10679
     Eigenvalues ---    0.11222   0.11768   0.11964   0.13020   0.13586
     Eigenvalues ---    0.13868   0.14587   0.14980   0.15082   0.15730
     Eigenvalues ---    0.15843   0.15941   0.15993   0.15997   0.15999
     Eigenvalues ---    0.16000   0.16008   0.16016   0.16030   0.16054
     Eigenvalues ---    0.16180   0.16282   0.16702   0.17043   0.17824
     Eigenvalues ---    0.18455   0.18587   0.19350   0.19991   0.21234
     Eigenvalues ---    0.21476   0.22400   0.22912   0.23541   0.24181
     Eigenvalues ---    0.24943   0.25139   0.25321   0.26161   0.26485
     Eigenvalues ---    0.26622   0.27534   0.27795   0.27863   0.28445
     Eigenvalues ---    0.28665   0.28821   0.29262   0.29545   0.30139
     Eigenvalues ---    0.30546   0.31113   0.32312   0.32417   0.33144
     Eigenvalues ---    0.33536   0.33755   0.33813   0.33890   0.33953
     Eigenvalues ---    0.34012   0.34054   0.34074   0.34083   0.34109
     Eigenvalues ---    0.34173   0.34220   0.34245   0.34272   0.34297
     Eigenvalues ---    0.34303   0.34350   0.34363   0.34382   0.34474
     Eigenvalues ---    0.34551   0.34736   0.34975   0.35072   0.35360
     Eigenvalues ---    0.35436   0.35593   0.37191   0.42261   0.44311
     Eigenvalues ---    0.45421   0.48160   0.50828   0.52490   0.53488
     Eigenvalues ---    0.54180   0.56060   0.58148   0.88846   0.92296
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    20   19   18   17   16
 RFO step:  Lambda=-4.21830973D-05.
 DIIS coeffs:      1.16720     -0.06128     -0.49312      0.40440     -0.01720
 Iteration  1 RMS(Cart)=  0.02056552 RMS(Int)=  0.00018036
 Iteration  2 RMS(Cart)=  0.00024336 RMS(Int)=  0.00001307
 Iteration  3 RMS(Cart)=  0.00000016 RMS(Int)=  0.00001307
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.60938  -0.00039   0.00024  -0.00158  -0.00134   2.60804
    R2        2.71215   0.00044   0.00034   0.00206   0.00241   2.71455
    R3        1.85936  -0.00016  -0.00034   0.00026  -0.00008   1.85928
    R4        2.71460   0.00016   0.00005   0.00084   0.00089   2.71549
    R5        1.85097   0.00228   0.00166   0.00268   0.00434   1.85531
    R6        2.28510   0.00088   0.00117   0.00045   0.00162   2.28671
    R7        2.69420  -0.00052  -0.00064   0.00021  -0.00043   2.69378
    R8        1.86600   0.00129   0.00085   0.00350   0.00435   1.87035
    R9        2.29294  -0.00002  -0.00027  -0.00003  -0.00030   2.29264
   R10        2.94881  -0.00012  -0.00080  -0.00060  -0.00134   2.94747
   R11        2.97640  -0.00083  -0.00146  -0.00109  -0.00255   2.97385
   R12        2.89754   0.00019  -0.00053   0.00138   0.00085   2.89839
   R13        2.89111   0.00008  -0.00041   0.00115   0.00075   2.89185
   R14        2.89648   0.00025   0.00074  -0.00043   0.00032   2.89680
   R15        2.90546   0.00010  -0.00040   0.00014  -0.00027   2.90520
   R16        2.12216  -0.00039  -0.00064  -0.00077  -0.00141   2.12075
   R17        2.94006   0.00005   0.00027  -0.00059  -0.00032   2.93974
   R18        2.90624  -0.00019  -0.00053  -0.00163  -0.00216   2.90408
   R19        2.11604   0.00015  -0.00010   0.00112   0.00102   2.11706
   R20        2.96074   0.00053   0.00086   0.00124   0.00208   2.96282
   R21        2.97584  -0.00043   0.00011  -0.00237  -0.00226   2.97358
   R22        2.95783  -0.00045  -0.00067   0.00023  -0.00045   2.95738
   R23        2.90370  -0.00005  -0.00062  -0.00082  -0.00144   2.90226
   R24        2.93513  -0.00023  -0.00132   0.00050  -0.00083   2.93430
   R25        2.08692  -0.00048  -0.00093  -0.00138  -0.00231   2.08460
   R26        2.07748   0.00101   0.00188   0.00211   0.00398   2.08146
   R27        2.90755   0.00012  -0.00017   0.00081   0.00063   2.90818
   R28        2.09499   0.00033   0.00014   0.00090   0.00104   2.09603
   R29        2.10174   0.00005  -0.00035   0.00040   0.00005   2.10180
   R30        2.87658  -0.00015  -0.00022  -0.00020  -0.00042   2.87616
   R31        2.11888   0.00016   0.00055   0.00091   0.00146   2.12034
   R32        2.11710  -0.00060  -0.00142  -0.00203  -0.00345   2.11365
   R33        2.89270   0.00004   0.00070  -0.00048   0.00022   2.89292
   R34        2.90989   0.00014   0.00036  -0.00094  -0.00058   2.90931
   R35        2.86664   0.00046   0.00132  -0.00020   0.00111   2.86775
   R36        2.89518   0.00032   0.00017   0.00010   0.00026   2.89544
   R37        2.09368  -0.00007  -0.00013  -0.00003  -0.00015   2.09353
   R38        2.09546   0.00016   0.00026   0.00003   0.00029   2.09575
   R39        2.06704   0.00007   0.00014   0.00013   0.00027   2.06731
   R40        2.07465  -0.00006  -0.00021  -0.00026  -0.00047   2.07418
   R41        2.08209   0.00013   0.00022   0.00076   0.00098   2.08306
   R42        2.83979   0.00008  -0.00034   0.00026  -0.00008   2.83970
   R43        2.09989  -0.00016  -0.00039  -0.00018  -0.00058   2.09931
   R44        2.10030  -0.00021  -0.00040  -0.00032  -0.00072   2.09958
   R45        2.53346   0.00009  -0.00012   0.00019   0.00007   2.53353
   R46        2.86945  -0.00075  -0.00131  -0.00115  -0.00246   2.86699
   R47        2.07682  -0.00006  -0.00015  -0.00011  -0.00026   2.07657
   R48        2.07363  -0.00006   0.00001  -0.00012  -0.00012   2.07351
   R49        2.06838   0.00058   0.00062   0.00161   0.00224   2.07062
   R50        2.07467   0.00003   0.00012   0.00014   0.00026   2.07494
   R51        2.07871   0.00015  -0.00010  -0.00009  -0.00018   2.07853
   R52        2.07618   0.00009   0.00037  -0.00027   0.00010   2.07628
   R53        2.52072   0.00007  -0.00003  -0.00013  -0.00016   2.52056
   R54        2.06378  -0.00021  -0.00017  -0.00059  -0.00076   2.06302
   R55        2.79421   0.00000  -0.00015   0.00038   0.00024   2.79445
   R56        2.06217   0.00009   0.00005   0.00025   0.00030   2.06247
   R57        2.09461  -0.00005  -0.00037  -0.00055  -0.00092   2.09369
   R58        2.10137  -0.00027  -0.00044   0.00001  -0.00043   2.10095
   R59        2.81788   0.00006  -0.00006   0.00043   0.00038   2.81825
   R60        2.06216   0.00015   0.00027   0.00033   0.00060   2.06276
    A1        1.92372   0.00108  -0.00084   0.00756   0.00672   1.93043
    A2        1.94917  -0.00065  -0.00358  -0.00293  -0.00651   1.94266
    A3        1.92817  -0.00061  -0.00282   0.00027  -0.00254   1.92562
    A4        1.74238   0.00010   0.00066   0.00208   0.00275   1.74513
    A5        1.89024   0.00001  -0.00047  -0.00169  -0.00216   1.88808
    A6        1.98802  -0.00005   0.00025   0.00066   0.00091   1.98893
    A7        2.00993  -0.00019  -0.00041  -0.00070  -0.00110   2.00883
    A8        1.90311   0.00009  -0.00098  -0.00066  -0.00165   1.90146
    A9        1.92595   0.00003   0.00090   0.00043   0.00133   1.92727
   A10        1.93642  -0.00002   0.00013  -0.00119  -0.00106   1.93537
   A11        1.82127  -0.00018  -0.00127   0.00117  -0.00009   1.82118
   A12        1.88282   0.00021   0.00270   0.00111   0.00381   1.88663
   A13        2.07181   0.00022   0.00122   0.00168   0.00290   2.07470
   A14        1.88361  -0.00022  -0.00238  -0.00215  -0.00452   1.87909
   A15        1.85924   0.00000  -0.00005  -0.00049  -0.00056   1.85869
   A16        1.89650   0.00015   0.00116  -0.00152  -0.00037   1.89613
   A17        1.93901  -0.00007   0.00031  -0.00108  -0.00077   1.93824
   A18        1.90948  -0.00004  -0.00064   0.00009  -0.00055   1.90893
   A19        1.94610  -0.00007   0.00069   0.00028   0.00095   1.94705
   A20        1.87318  -0.00004  -0.00143  -0.00015  -0.00158   1.87160
   A21        1.89821   0.00007  -0.00016   0.00242   0.00226   1.90046
   A22        1.88493  -0.00005   0.00043   0.00023   0.00067   1.88559
   A23        1.79701   0.00024   0.00166   0.00257   0.00425   1.80125
   A24        1.82506  -0.00012   0.00069  -0.00153  -0.00085   1.82421
   A25        1.99188  -0.00022  -0.00236  -0.00358  -0.00595   1.98593
   A26        1.93627   0.00020   0.00032   0.00413   0.00444   1.94070
   A27        2.01053  -0.00004  -0.00026  -0.00169  -0.00194   2.00858
   A28        1.91744  -0.00005   0.00323  -0.00168   0.00155   1.91899
   A29        1.97403   0.00015  -0.00061   0.00065   0.00008   1.97411
   A30        1.79348  -0.00006  -0.00287   0.00115  -0.00156   1.79193
   A31        1.82145   0.00006  -0.00053   0.00178   0.00120   1.82265
   A32        1.98786   0.00028   0.00110   0.00013   0.00124   1.98910
   A33        1.97411  -0.00037  -0.00030  -0.00214  -0.00242   1.97170
   A34        1.83591  -0.00017  -0.00077  -0.00099  -0.00176   1.83415
   A35        1.94856   0.00012   0.00102   0.00054   0.00157   1.95013
   A36        1.94971  -0.00010  -0.00093  -0.00166  -0.00260   1.94712
   A37        1.92751   0.00003   0.00047   0.00138   0.00186   1.92936
   A38        1.95431   0.00012  -0.00084  -0.00022  -0.00107   1.95324
   A39        1.85001   0.00001   0.00104   0.00098   0.00202   1.85203
   A40        1.96590   0.00008   0.00103  -0.00213  -0.00111   1.96479
   A41        1.92689   0.00001   0.00049  -0.00171  -0.00123   1.92567
   A42        1.91903  -0.00008  -0.00061   0.00179   0.00119   1.92021
   A43        1.92166  -0.00006  -0.00042  -0.00017  -0.00056   1.92110
   A44        1.87817   0.00004  -0.00015   0.00233   0.00217   1.88033
   A45        1.84787   0.00000  -0.00046   0.00015  -0.00031   1.84756
   A46        1.85259   0.00009   0.00075   0.00112   0.00188   1.85447
   A47        1.96923  -0.00007  -0.00098   0.00015  -0.00083   1.96841
   A48        1.87122  -0.00003  -0.00010  -0.00084  -0.00095   1.87028
   A49        1.97440  -0.00006  -0.00068   0.00019  -0.00048   1.97392
   A50        1.90029  -0.00001  -0.00006   0.00002  -0.00004   1.90025
   A51        1.89250   0.00008   0.00108  -0.00067   0.00040   1.89290
   A52        1.95398  -0.00024   0.00127  -0.00767  -0.00641   1.94756
   A53        1.80979   0.00015  -0.00008   0.00225   0.00214   1.81193
   A54        1.87251   0.00014   0.00053   0.00445   0.00499   1.87749
   A55        2.01436  -0.00003  -0.00089  -0.00276  -0.00366   2.01070
   A56        1.90359   0.00004  -0.00020   0.00129   0.00112   1.90472
   A57        1.90315  -0.00003  -0.00059   0.00314   0.00255   1.90571
   A58        1.87843  -0.00006   0.00022   0.00096   0.00117   1.87960
   A59        1.96663   0.00013   0.00056   0.00119   0.00175   1.96838
   A60        1.91673  -0.00007  -0.00017  -0.00198  -0.00215   1.91458
   A61        1.87179  -0.00004  -0.00091   0.00056  -0.00035   1.87144
   A62        1.96124   0.00005  -0.00006   0.00023   0.00017   1.96141
   A63        1.87003   0.00001   0.00035  -0.00087  -0.00052   1.86951
   A64        1.96006   0.00000  -0.00046  -0.00145  -0.00192   1.95815
   A65        1.90926   0.00006   0.00050   0.00111   0.00161   1.91087
   A66        1.92714  -0.00001  -0.00012  -0.00048  -0.00060   1.92654
   A67        1.91036  -0.00005  -0.00028   0.00067   0.00038   1.91075
   A68        1.91066   0.00003   0.00046  -0.00003   0.00043   1.91109
   A69        1.84262  -0.00002  -0.00006   0.00031   0.00024   1.84286
   A70        1.97015   0.00005  -0.00004   0.00113   0.00109   1.97124
   A71        1.95359  -0.00001   0.00008   0.00031   0.00038   1.95398
   A72        1.93775   0.00005   0.00002  -0.00039  -0.00036   1.93738
   A73        1.87218   0.00001   0.00024   0.00012   0.00035   1.87253
   A74        1.88710  -0.00010  -0.00050  -0.00216  -0.00267   1.88443
   A75        1.83645  -0.00001   0.00020   0.00092   0.00112   1.83757
   A76        1.94741  -0.00015  -0.00087  -0.00203  -0.00290   1.94451
   A77        1.92926   0.00003   0.00027  -0.00033  -0.00006   1.92920
   A78        1.90548   0.00009   0.00075   0.00083   0.00159   1.90707
   A79        1.91067   0.00011   0.00003   0.00080   0.00083   1.91149
   A80        1.93498   0.00000   0.00012   0.00078   0.00090   1.93588
   A81        1.83282  -0.00007  -0.00026   0.00008  -0.00017   1.83265
   A82        2.01897   0.00003   0.00010  -0.00011  -0.00001   2.01896
   A83        2.14181  -0.00013  -0.00030  -0.00049  -0.00078   2.14103
   A84        2.12228   0.00010   0.00021   0.00059   0.00079   2.12307
   A85        2.13743   0.00047   0.00107   0.00208   0.00315   2.14058
   A86        2.11886  -0.00041  -0.00027  -0.00323  -0.00350   2.11536
   A87        2.02680  -0.00006  -0.00080   0.00112   0.00032   2.02712
   A88        1.93812   0.00027   0.00056   0.00195   0.00253   1.94065
   A89        1.93819   0.00010   0.00074  -0.00011   0.00063   1.93881
   A90        1.97111  -0.00053  -0.00135  -0.00292  -0.00427   1.96684
   A91        1.87148  -0.00017  -0.00018  -0.00129  -0.00146   1.87001
   A92        1.86830   0.00016  -0.00035   0.00263   0.00229   1.87059
   A93        1.87190   0.00018   0.00057  -0.00017   0.00038   1.87228
   A94        1.95460  -0.00003  -0.00020  -0.00009  -0.00029   1.95431
   A95        1.96373  -0.00008   0.00000  -0.00144  -0.00143   1.96229
   A96        1.93286   0.00014   0.00059  -0.00014   0.00045   1.93331
   A97        1.86017   0.00008   0.00009   0.00053   0.00062   1.86079
   A98        1.87893  -0.00007  -0.00014  -0.00024  -0.00037   1.87855
   A99        1.86873  -0.00004  -0.00038   0.00151   0.00112   1.86985
   A100       2.16399  -0.00010  -0.00032  -0.00015  -0.00047   2.16352
   A101       2.01051   0.00006   0.00033  -0.00098  -0.00065   2.00986
   A102       2.10843   0.00004  -0.00002   0.00118   0.00116   2.10959
   A103       2.14758   0.00016   0.00036   0.00049   0.00087   2.14845
   A104       2.13967  -0.00003   0.00019   0.00032   0.00050   2.14017
   A105       1.99577  -0.00013  -0.00056  -0.00079  -0.00135   1.99442
   A106       1.94836  -0.00029  -0.00023  -0.00140  -0.00164   1.94672
   A107       1.82544   0.00015  -0.00011   0.00118   0.00107   1.82651
   A108       1.90055   0.00027   0.00215   0.00136   0.00352   1.90406
   A109       1.96706   0.00007  -0.00029   0.00248   0.00220   1.96926
   A110       1.92565  -0.00006  -0.00061  -0.00147  -0.00207   1.92358
   A111       1.89300  -0.00011  -0.00083  -0.00204  -0.00286   1.89014
   A112       2.13156   0.00002   0.00017   0.00019   0.00038   2.13194
   A113       2.14630   0.00010   0.00044   0.00063   0.00107   2.14737
   A114       2.00532  -0.00011  -0.00062  -0.00083  -0.00145   2.00387
   A115       2.14148   0.00002  -0.00005   0.00046   0.00040   2.14188
   A116       2.12370  -0.00001  -0.00003   0.00031   0.00027   2.12397
   A117       2.01795   0.00000   0.00005  -0.00071  -0.00064   2.01731
    D1       -1.36412   0.00004   0.00893  -0.00433   0.00459  -1.35954
    D2        0.66319   0.00017   0.00991  -0.00281   0.00715   0.67034
    D3        2.79743  -0.00023   0.00759  -0.00431   0.00326   2.80069
    D4       -1.12356  -0.00022  -0.00637  -0.05305  -0.05944  -1.18299
    D5        2.97688  -0.00014  -0.00600  -0.04670  -0.05267   2.92420
    D6        0.96432  -0.00023  -0.00553  -0.05312  -0.05865   0.90567
    D7        0.50164   0.00000   0.00219   0.00102   0.00321   0.50485
    D8        2.63374   0.00002   0.00165   0.00399   0.00564   2.63937
    D9       -1.62869   0.00009   0.00163   0.00286   0.00449  -1.62420
   D10        3.02711   0.00025   0.00265  -0.00157   0.00108   3.02819
   D11        0.77627   0.00011   0.00194  -0.00374  -0.00179   0.77447
   D12       -1.19630   0.00010   0.00148  -0.00418  -0.00271  -1.19901
   D13       -1.14800   0.00010   0.00233  -0.00202   0.00032  -1.14769
   D14        2.88434  -0.00004   0.00161  -0.00418  -0.00256   2.88179
   D15        0.91178  -0.00005   0.00116  -0.00463  -0.00347   0.90831
   D16        1.00186   0.00011   0.00331  -0.00227   0.00104   1.00290
   D17       -1.24898  -0.00003   0.00260  -0.00444  -0.00183  -1.25081
   D18        3.06164  -0.00004   0.00215  -0.00488  -0.00275   3.05889
   D19        1.43501   0.00009   0.00180   0.00968   0.01151   1.44652
   D20       -0.68634  -0.00010   0.00115   0.00875   0.00990  -0.67644
   D21       -2.84737   0.00015   0.00126   0.01010   0.01132  -2.83604
   D22       -0.58419   0.00008   0.00212   0.01071   0.01286  -0.57133
   D23       -2.70553  -0.00010   0.00147   0.00979   0.01125  -2.69429
   D24        1.41662   0.00015   0.00158   0.01113   0.01267   1.42929
   D25       -2.75969   0.00011   0.00203   0.01119   0.01325  -2.74645
   D26        1.40214  -0.00007   0.00138   0.01027   0.01164   1.41378
   D27       -0.75889   0.00018   0.00149   0.01161   0.01306  -0.74582
   D28        0.95757  -0.00002   0.00043   0.00467   0.00510   0.96268
   D29       -1.19852   0.00000  -0.00017   0.00771   0.00755  -1.19097
   D30        3.05212   0.00004   0.00049   0.00746   0.00794   3.06006
   D31        2.89028   0.00002   0.00073   0.00579   0.00654   2.89681
   D32        0.73418   0.00003   0.00013   0.00883   0.00898   0.74317
   D33       -1.29836   0.00007   0.00078   0.00858   0.00938  -1.28898
   D34       -1.22938   0.00002  -0.00017   0.00472   0.00456  -1.22482
   D35        2.89771   0.00003  -0.00076   0.00776   0.00700   2.90471
   D36        0.86517   0.00007  -0.00011   0.00751   0.00739   0.87257
   D37        0.93188   0.00006   0.00492   0.02738   0.03230   0.96418
   D38        3.04633   0.00010   0.00526   0.02858   0.03384   3.08017
   D39       -1.19035   0.00012   0.00558   0.02967   0.03525  -1.15509
   D40       -0.99706  -0.00009   0.00457   0.02489   0.02946  -0.96760
   D41        1.11739  -0.00005   0.00491   0.02609   0.03100   1.14838
   D42       -3.11929  -0.00003   0.00523   0.02718   0.03241  -3.08688
   D43        3.06217   0.00006   0.00517   0.02596   0.03113   3.09331
   D44       -1.10656   0.00010   0.00551   0.02716   0.03267  -1.07389
   D45        0.93994   0.00012   0.00583   0.02825   0.03409   0.97403
   D46        1.08136   0.00013   0.00022   0.00531   0.00555   1.08692
   D47       -3.05465   0.00010   0.00206   0.00392   0.00600  -3.04866
   D48       -0.95869   0.00012   0.00164   0.00631   0.00796  -0.95073
   D49       -3.09322   0.00004  -0.00047   0.00720   0.00675  -3.08647
   D50       -0.94606   0.00001   0.00137   0.00581   0.00719  -0.93886
   D51        1.14991   0.00003   0.00095   0.00820   0.00916   1.15907
   D52       -0.97794   0.00002  -0.00167   0.00594   0.00428  -0.97366
   D53        1.16923  -0.00001   0.00017   0.00455   0.00472   1.17395
   D54       -3.01799   0.00001  -0.00025   0.00694   0.00668  -3.01131
   D55       -0.57089  -0.00004  -0.00383  -0.00211  -0.00594  -0.57684
   D56        1.52007  -0.00004  -0.00318  -0.00076  -0.00394   1.51613
   D57       -2.69491  -0.00002  -0.00180  -0.00027  -0.00207  -2.69699
   D58       -2.73713  -0.00002  -0.00376  -0.00266  -0.00643  -2.74357
   D59       -0.64617  -0.00002  -0.00311  -0.00131  -0.00443  -0.65060
   D60        1.42203   0.00000  -0.00173  -0.00082  -0.00257   1.41947
   D61        1.41846   0.00012  -0.00138  -0.00055  -0.00194   1.41652
   D62       -2.77376   0.00011  -0.00074   0.00080   0.00006  -2.77370
   D63       -0.70556   0.00014   0.00065   0.00129   0.00193  -0.70363
   D64        1.13646   0.00006  -0.00124  -0.00849  -0.00974   1.12671
   D65       -0.85012  -0.00008  -0.00227  -0.00981  -0.01208  -0.86220
   D66        3.12697  -0.00001  -0.00001  -0.00802  -0.00803   3.11893
   D67       -1.00644   0.00009  -0.00287  -0.00627  -0.00914  -1.01559
   D68       -2.99302  -0.00005  -0.00390  -0.00759  -0.01148  -3.00450
   D69        0.98407   0.00002  -0.00164  -0.00579  -0.00743   0.97664
   D70       -3.08357   0.00006  -0.00217  -0.00928  -0.01146  -3.09503
   D71        1.21303  -0.00007  -0.00320  -0.01060  -0.01379   1.19924
   D72       -1.09306   0.00000  -0.00094  -0.00880  -0.00974  -1.10281
   D73       -3.04577  -0.00006  -0.00287   0.00101  -0.00187  -3.04764
   D74        1.11266  -0.00004  -0.00255   0.00035  -0.00220   1.11046
   D75       -0.90790  -0.00004  -0.00270  -0.00039  -0.00309  -0.91099
   D76       -0.92739   0.00003  -0.00071  -0.00150  -0.00222  -0.92962
   D77       -3.05216   0.00006  -0.00039  -0.00216  -0.00255  -3.05471
   D78        1.21047   0.00006  -0.00053  -0.00290  -0.00344   1.20703
   D79        1.13477  -0.00001  -0.00217  -0.00001  -0.00217   1.13260
   D80       -0.98999   0.00001  -0.00184  -0.00066  -0.00250  -0.99249
   D81       -3.01055   0.00001  -0.00199  -0.00141  -0.00339  -3.01394
   D82        2.89607   0.00006   0.00280   0.01734   0.02013   2.91620
   D83       -1.32236   0.00005   0.00301   0.01252   0.01554  -1.30682
   D84        0.82653   0.00002   0.00146   0.01569   0.01716   0.84369
   D85       -1.34900   0.00004   0.00321   0.01747   0.02065  -1.32835
   D86        0.71575   0.00003   0.00342   0.01265   0.01606   0.73182
   D87        2.86464  -0.00001   0.00187   0.01582   0.01768   2.88233
   D88        0.92082   0.00008   0.00107   0.01836   0.01943   0.94025
   D89        2.98557   0.00007   0.00129   0.01354   0.01484   3.00041
   D90       -1.14872   0.00003  -0.00027   0.01671   0.01646  -1.13227
   D91        1.05657  -0.00003   0.00353   0.00963   0.01316   1.06973
   D92        3.11655  -0.00004   0.00288   0.01163   0.01451   3.13106
   D93       -1.08348   0.00000   0.00357   0.00995   0.01352  -1.06996
   D94       -0.97125   0.00000   0.00249   0.00824   0.01073  -0.96053
   D95        1.08873  -0.00001   0.00184   0.01023   0.01207   1.10081
   D96       -3.11130   0.00003   0.00253   0.00856   0.01109  -3.10022
   D97        3.01539   0.00016   0.00584   0.01099   0.01683   3.03222
   D98       -1.20780   0.00015   0.00519   0.01298   0.01817  -1.18963
   D99        0.87534   0.00019   0.00588   0.01130   0.01718   0.89253
   D100      -1.72746  -0.00007  -0.00705  -0.00972  -0.01678  -1.74424
   D101       0.44435  -0.00013  -0.00797  -0.00860  -0.01659   0.42776
   D102       2.52673  -0.00010  -0.00730  -0.00989  -0.01720   2.50953
   D103       0.35601  -0.00002  -0.00383  -0.01028  -0.01410   0.34192
   D104       2.52782  -0.00007  -0.00475  -0.00915  -0.01390   2.51392
   D105      -1.67299  -0.00004  -0.00408  -0.01044  -0.01452  -1.68750
   D106       2.52588   0.00015  -0.00302  -0.01018  -0.01318   2.51270
   D107      -1.58549   0.00010  -0.00394  -0.00905  -0.01299  -1.59848
   D108       0.49688   0.00013  -0.00327  -0.01034  -0.01360   0.48328
   D109      -2.60876   0.00002  -0.00533   0.00100  -0.00431  -2.61306
   D110       0.51759  -0.00010  -0.00466  -0.00139  -0.00602   0.51157
   D111       1.60146  -0.00002  -0.00804   0.00223  -0.00581   1.59564
   D112      -1.55538  -0.00015  -0.00736  -0.00016  -0.00753  -1.56291
   D113      -0.47458  -0.00003  -0.00787   0.00139  -0.00650  -0.48108
   D114       2.65177  -0.00016  -0.00720  -0.00100  -0.00822   2.64355
   D115       0.12749   0.00012   0.00482   0.00762   0.01244   0.13993
   D116      -2.04112   0.00018   0.00594   0.00651   0.01245  -2.02866
   D117       2.13680   0.00013   0.00506   0.00722   0.01229   2.14908
   D118      -1.97739   0.00006   0.00380   0.00682   0.01062  -1.96677
   D119       2.13719   0.00012   0.00492   0.00571   0.01063   2.14782
   D120       0.03192   0.00007   0.00404   0.00643   0.01047   0.04238
   D121       2.24852  -0.00004   0.00272   0.00484   0.00756   2.25607
   D122       0.07991   0.00002   0.00384   0.00373   0.00757   0.08748
   D123      -2.02536  -0.00004   0.00296   0.00444   0.00740  -2.01796
   D124       1.37320  -0.00022  -0.00242  -0.01985  -0.02227   1.35093
   D125      -0.77018  -0.00001  -0.00341  -0.01017  -0.01359  -0.78377
   D126      -2.91931  -0.00001  -0.00208  -0.01237  -0.01445  -2.93376
   D127      -2.75099  -0.00019  -0.00136  -0.02372  -0.02508  -2.77607
   D128       1.38882   0.00002  -0.00235  -0.01405  -0.01640   1.37242
   D129      -0.76031   0.00002  -0.00102  -0.01625  -0.01726  -0.77757
   D130      -0.74477  -0.00020  -0.00220  -0.02235  -0.02454  -0.76932
   D131      -2.88815   0.00001  -0.00319  -0.01267  -0.01586  -2.90402
   D132       1.24590   0.00001  -0.00186  -0.01487  -0.01672   1.22919
   D133       0.97538  -0.00003  -0.00140  -0.01345  -0.01484   0.96054
   D134       3.05611   0.00001  -0.00074  -0.01386  -0.01461   3.04151
   D135      -1.12350  -0.00006  -0.00044  -0.01620  -0.01663  -1.14014
   D136       3.07885   0.00000  -0.00161  -0.01173  -0.01334   3.06551
   D137      -1.12360   0.00003  -0.00096  -0.01214  -0.01311  -1.13670
   D138       0.97997  -0.00004  -0.00065  -0.01448  -0.01513   0.96484
   D139      -1.09464   0.00001  -0.00137  -0.01205  -0.01342  -1.10806
   D140       0.98610   0.00004  -0.00072  -0.01246  -0.01319   0.97291
   D141       3.08967  -0.00003  -0.00042  -0.01481  -0.01522   3.07445
   D142       0.97570   0.00005  -0.00020  -0.00305  -0.00325   0.97245
   D143      -2.18234   0.00004   0.00031  -0.00371  -0.00340  -2.18574
   D144      -1.14457  -0.00004  -0.00047  -0.00531  -0.00578  -1.15036
   D145       1.98057  -0.00005   0.00003  -0.00597  -0.00594   1.97463
   D146       3.08808  -0.00005  -0.00030  -0.00473  -0.00503   3.08305
   D147      -0.06996  -0.00006   0.00020  -0.00539  -0.00518  -0.07515
   D148      -0.92323   0.00002   0.00423   0.00038   0.00460  -0.91863
   D149       1.17176   0.00004   0.00421  -0.00002   0.00418   1.17594
   D150      -3.02075   0.00003   0.00413   0.00083   0.00496  -3.01578
   D151       1.14066  -0.00001   0.00423   0.00260   0.00683   1.14749
   D152      -3.04754   0.00001   0.00421   0.00220   0.00641  -3.04113
   D153      -0.95686   0.00000   0.00413   0.00306   0.00719  -0.94967
   D154      -3.03328   0.00003   0.00386   0.00270   0.00655  -3.02672
   D155      -0.93829   0.00005   0.00384   0.00230   0.00613  -0.93215
   D156       1.15239   0.00004   0.00376   0.00316   0.00691   1.15930
   D157       2.15285  -0.00003   0.00084   0.00564   0.00647   2.15932
   D158      -1.01269  -0.00001   0.00012   0.00817   0.00829  -1.00441
   D159       0.06260   0.00007   0.00071   0.00562   0.00634   0.06894
   D160      -3.10294   0.00009   0.00000   0.00815   0.00815  -3.09479
   D161      -1.98898   0.00009   0.00164   0.00536   0.00699  -1.98198
   D162       1.12866   0.00011   0.00092   0.00789   0.00881   1.13748
   D163       0.88451   0.00007   0.00222   0.00779   0.01001   0.89452
   D164      -1.24606   0.00002   0.00259   0.00840   0.01099  -1.23507
   D165       3.02940   0.00004   0.00231   0.00800   0.01032   3.03972
   D166       3.00865   0.00012   0.00235   0.00870   0.01104   3.01969
   D167       0.87808   0.00006   0.00271   0.00931   0.01202   0.89010
   D168      -1.12965   0.00008   0.00244   0.00891   0.01135  -1.11830
   D169      -1.26265   0.00008   0.00237   0.00942   0.01179  -1.25086
   D170       2.88997   0.00002   0.00273   0.01003   0.01276   2.90273
   D171       0.88224   0.00004   0.00246   0.00963   0.01209   0.89433
   D172      -0.94327  -0.00006  -0.00197  -0.00557  -0.00753  -0.95080
   D173       2.21457  -0.00006  -0.00246  -0.00491  -0.00736   2.20721
   D174       1.19798  -0.00006  -0.00219  -0.00680  -0.00898   1.18900
   D175      -1.92737  -0.00005  -0.00268  -0.00613  -0.00881  -1.93617
   D176      -3.07122  -0.00008  -0.00241  -0.00577  -0.00818  -3.07940
   D177       0.08662  -0.00007  -0.00290  -0.00511  -0.00801   0.07861
   D178       0.03467  -0.00011  -0.00062  -0.00035  -0.00098   0.03369
   D179      -3.12731  -0.00001  -0.00036   0.00067   0.00031  -3.12700
   D180      -3.12433  -0.00011  -0.00009  -0.00106  -0.00115  -3.12548
   D181      -0.00312  -0.00002   0.00017  -0.00003   0.00014  -0.00299
   D182      -0.24924  -0.00007   0.00291  -0.00674  -0.00383  -0.25307
   D183      -2.29767  -0.00010   0.00340  -0.00893  -0.00554  -2.30321
   D184       1.86658   0.00003   0.00507  -0.00697  -0.00189   1.86469
   D185       2.90742   0.00005   0.00223  -0.00443  -0.00220   2.90522
   D186       0.85899   0.00001   0.00271  -0.00662  -0.00391   0.85508
   D187      -1.25994   0.00015   0.00439  -0.00466  -0.00027  -1.26021
   D188      -0.01926   0.00010  -0.00118  -0.00005  -0.00123  -0.02049
   D189       3.12734   0.00001  -0.00142   0.00064  -0.00078   3.12656
   D190      -3.13561   0.00007  -0.00043  -0.00269  -0.00312  -3.13874
   D191       0.01098  -0.00002  -0.00067  -0.00200  -0.00267   0.00831
   D192      -3.11665  -0.00013   0.00344  -0.00037   0.00307  -3.11359
   D193       0.01451   0.00026   0.00021   0.00610   0.00630   0.02082
   D194       0.04379  -0.00022   0.00319  -0.00133   0.00186   0.04565
   D195      -3.10822   0.00017  -0.00004   0.00514   0.00510  -3.10313
   D196       3.10864   0.00014  -0.00248   0.00049  -0.00199   3.10664
   D197      -0.02265  -0.00025   0.00071  -0.00590  -0.00519  -0.02784
   D198      -0.03758   0.00022  -0.00227  -0.00014  -0.00241  -0.03999
   D199       3.11432  -0.00017   0.00093  -0.00654  -0.00561   3.10871
         Item               Value     Threshold  Converged?
 Maximum Force            0.002277     0.000450     NO 
 RMS     Force            0.000226     0.000300     YES
 Maximum Displacement     0.104668     0.001800     NO 
 RMS     Displacement     0.020568     0.001200     NO 
 Predicted change in Energy=-8.686881D-05
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C22H29FO5
 Framework group  C1[X(C22H29FO5)]
 Deg. of freedom   165
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          9           0        1.550770    0.059291   -1.390496
      2          8           0       -3.021983    0.244291   -1.810504
      3          8           0        0.346671   -2.228189    1.104483
      4          8           0       -4.887671   -0.148302    1.035904
      5          8           0       -5.544459   -2.457425   -0.198375
      6          8           0        6.473516   -0.175440   -1.407137
      7          6           0       -1.649834   -0.130650    0.204250
      8          6           0       -0.752681    1.124724   -0.023622
      9          6           0        0.626495    0.934620    0.617924
     10          6           0        1.332253   -0.270032   -0.068180
     11          6           0       -3.011550    0.396915   -0.382194
     12          6           0       -1.626544    2.305039    0.431028
     13          6           0       -1.026943   -1.308286   -0.555758
     14          6           0       -3.080624    1.891623    0.076309
     15          6           0        0.440045   -1.555847   -0.162065
     16          6           0        2.771857   -0.498814    0.524499
     17          6           0        1.466627    2.216958    0.510907
     18          6           0       -1.850223   -0.492033    1.677706
     19          6           0        2.896045    2.016988    1.025123
     20          6           0        3.543406    0.816908    0.393571
     21          6           0       -4.236676   -0.420690    0.052900
     22          6           0       -3.722112    2.798253   -0.964358
     23          6           0        2.749515   -0.867443    2.019090
     24          6           0        3.450568   -1.641933   -0.207335
     25          6           0        4.729908    0.901682   -0.224864
     26          6           0       -4.609479   -1.591462   -0.837068
     27          6           0        4.628088   -1.536570   -0.824933
     28          6           0        5.386543   -0.253416   -0.873945
     29          1           0       -0.600156    1.248242   -1.128579
     30          1           0        0.500200    0.673030    1.699909
     31          1           0       -1.530277    2.491193    1.514062
     32          1           0       -1.332387    3.242110   -0.067556
     33          1           0       -1.105070   -1.145305   -1.650106
     34          1           0       -1.595998   -2.240596   -0.345959
     35          1           0       -3.704677    1.923501    1.008244
     36          1           0        0.900654   -2.269304   -0.889969
     37          1           0        0.977508    3.028201    1.085342
     38          1           0        1.497327    2.572106   -0.539267
     39          1           0       -2.248643    0.337109    2.269792
     40          1           0       -2.535021   -1.340673    1.802633
     41          1           0       -0.901760   -0.813766    2.138130
     42          1           0        2.900237    1.902552    2.130110
     43          1           0        3.488212    2.936378    0.828932
     44          1           0       -4.719007    2.433581   -1.248493
     45          1           0       -3.848763    3.816753   -0.576308
     46          1           0       -3.130236    2.871547   -1.883557
     47          1           0        2.171307   -0.146140    2.611562
     48          1           0        2.301100   -1.855169    2.201090
     49          1           0        3.768512   -0.894038    2.429117
     50          1           0       -2.489989    0.952791   -2.238341
     51          1           0        2.914392   -2.592559   -0.182030
     52          1           0        1.210039   -2.614358    1.367877
     53          1           0        5.285518    1.837560   -0.306150
     54          1           0       -3.744793   -2.241096   -1.077499
     55          1           0       -5.046498   -1.224717   -1.791295
     56          1           0        5.109184   -2.372858   -1.335510
     57          1           0       -6.104544   -1.948357    0.439398
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.4199862      0.1034257      0.0948254
 Standard basis: VSTO-6G (5D, 7F)
 There are   141 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   141 basis functions,   846 primitive gaussians,   141 cartesian basis functions
    77 alpha electrons       77 beta electrons
       nuclear repulsion energy      1660.0331883102 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   141 RedAO= F  NBF=   141
 NBsUse=   141 1.00D-04 NBFU=   141
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=982442.
 SCF Done:  E(RPM6) = -0.417939639843     A.U. after   12 cycles
             Convg  =    0.6945D-08             -V/T =  0.9987
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        9           0.000008840   -0.000010528    0.000023823
      2        8           0.000183213   -0.000199855   -0.000308892
      3        8          -0.001282068   -0.000913355    0.000348760
      4        8           0.000123852   -0.000086260    0.000149995
      5        8           0.000499672    0.000339089    0.000478016
      6        8           0.000043870   -0.000050253    0.000302044
      7        6          -0.000829670   -0.000275898   -0.000233506
      8        6          -0.000185985    0.000004466    0.000279740
      9        6           0.000186895    0.000048174   -0.000338841
     10        6           0.000202887   -0.000046292    0.000156234
     11        6           0.001129475   -0.000123034    0.000813985
     12        6          -0.000200406    0.000022450    0.000009862
     13        6           0.000091652    0.000390371    0.000027209
     14        6          -0.000440730    0.000230205   -0.000368042
     15        6          -0.000384818    0.000490454   -0.000002477
     16        6          -0.000166445   -0.000172487   -0.000020522
     17        6          -0.000069678   -0.000124264   -0.000037614
     18        6           0.000300864    0.000035852    0.000115517
     19        6           0.000270190   -0.000066241   -0.000176414
     20        6           0.000170701   -0.000056064    0.000114602
     21        6          -0.000154242    0.000047130   -0.000478116
     22        6          -0.000097361   -0.000025585    0.000079871
     23        6           0.000035614   -0.000286738   -0.000116089
     24        6           0.000077698    0.000265400    0.000051650
     25        6          -0.000131559    0.000060898    0.000443771
     26        6          -0.000659505    0.000055364    0.000048978
     27        6          -0.000016316   -0.000074050    0.000426581
     28        6           0.000075013    0.000138584   -0.000998659
     29        1          -0.000210778   -0.000045019    0.000026839
     30        1           0.000047893    0.000034054   -0.000011785
     31        1           0.000022047    0.000069596    0.000029768
     32        1           0.000032299   -0.000141832   -0.000095705
     33        1           0.000034959    0.000046354    0.000071454
     34        1           0.000062143   -0.000212043    0.000071669
     35        1           0.000114622   -0.000142416    0.000075220
     36        1          -0.000088082   -0.000042791   -0.000069910
     37        1           0.000106004   -0.000036783    0.000082198
     38        1           0.000037477   -0.000086727    0.000109027
     39        1          -0.000055956   -0.000099058    0.000078720
     40        1           0.000084810    0.000074400    0.000106362
     41        1          -0.000111449   -0.000023703    0.000018056
     42        1          -0.000040649    0.000004569    0.000024883
     43        1          -0.000026601    0.000069105   -0.000129140
     44        1           0.000079571   -0.000049462   -0.000016158
     45        1          -0.000010244    0.000029581    0.000012469
     46        1           0.000046832    0.000013775    0.000050972
     47        1           0.000015763    0.000033436    0.000048034
     48        1           0.000097495    0.000178106   -0.000127750
     49        1          -0.000001346    0.000032426   -0.000099268
     50        1          -0.000297221    0.000301551   -0.000447725
     51        1           0.000112889   -0.000041272    0.000042056
     52        1           0.001326414    0.000701531   -0.000356707
     53        1          -0.000035977   -0.000051481   -0.000019946
     54        1           0.000182476    0.000080770    0.000031734
     55        1          -0.000023079    0.000113590   -0.000035899
     56        1          -0.000016108    0.000002363   -0.000030667
     57        1          -0.000267857   -0.000430151   -0.000230272
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.001326414 RMS     0.000284013

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.001530369 RMS     0.000138687
 Search for a local minimum.
 Step number  21 out of a maximum of  342
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   19   20   21
 DE= -1.24D-04 DEPred=-8.69D-05 R= 1.43D+00
 SS=  1.41D+00  RLast= 1.98D-01 DXNew= 3.1318D+00 5.9284D-01
 Trust test= 1.43D+00 RLast= 1.98D-01 DXMaxT set to 1.86D+00
     Eigenvalues ---    0.00145   0.00166   0.00216   0.00253   0.00268
     Eigenvalues ---    0.00318   0.00387   0.00484   0.00514   0.00594
     Eigenvalues ---    0.00670   0.00707   0.00830   0.01237   0.01355
     Eigenvalues ---    0.01390   0.01448   0.01544   0.01658   0.01696
     Eigenvalues ---    0.01768   0.02097   0.02226   0.02308   0.02479
     Eigenvalues ---    0.03038   0.03288   0.03673   0.03753   0.03840
     Eigenvalues ---    0.03939   0.04063   0.04268   0.04399   0.04560
     Eigenvalues ---    0.04665   0.04821   0.04876   0.04974   0.05016
     Eigenvalues ---    0.05030   0.05134   0.05211   0.05302   0.05346
     Eigenvalues ---    0.05370   0.05415   0.05523   0.05532   0.05609
     Eigenvalues ---    0.05763   0.05918   0.06123   0.06276   0.06757
     Eigenvalues ---    0.06919   0.06972   0.07132   0.07177   0.07343
     Eigenvalues ---    0.07750   0.07907   0.08185   0.08309   0.08313
     Eigenvalues ---    0.08353   0.09053   0.09106   0.09300   0.10691
     Eigenvalues ---    0.11220   0.11759   0.11968   0.12978   0.13466
     Eigenvalues ---    0.14021   0.14604   0.14970   0.15067   0.15616
     Eigenvalues ---    0.15863   0.15924   0.15996   0.15998   0.15999
     Eigenvalues ---    0.16002   0.16009   0.16017   0.16052   0.16084
     Eigenvalues ---    0.16183   0.16348   0.16683   0.17013   0.17804
     Eigenvalues ---    0.18482   0.19072   0.19355   0.20001   0.21209
     Eigenvalues ---    0.21455   0.22416   0.22909   0.23536   0.24252
     Eigenvalues ---    0.24969   0.25159   0.25486   0.25879   0.26540
     Eigenvalues ---    0.26625   0.27641   0.27738   0.27927   0.28417
     Eigenvalues ---    0.28697   0.29124   0.29234   0.29523   0.30241
     Eigenvalues ---    0.30564   0.31127   0.32199   0.32386   0.32927
     Eigenvalues ---    0.33526   0.33697   0.33825   0.33914   0.33976
     Eigenvalues ---    0.34015   0.34047   0.34076   0.34105   0.34117
     Eigenvalues ---    0.34180   0.34224   0.34256   0.34273   0.34302
     Eigenvalues ---    0.34319   0.34356   0.34377   0.34431   0.34510
     Eigenvalues ---    0.34526   0.34722   0.34978   0.35092   0.35360
     Eigenvalues ---    0.35452   0.35593   0.39644   0.42273   0.44294
     Eigenvalues ---    0.45356   0.47923   0.49030   0.52603   0.53497
     Eigenvalues ---    0.54348   0.56106   0.58138   0.89172   0.92586
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    21   20   19   18   17
 RFO step:  Lambda=-1.61308722D-05.
 DIIS coeffs:      1.25473     -0.16246     -0.07516     -0.20872      0.19161
 Iteration  1 RMS(Cart)=  0.01390912 RMS(Int)=  0.00010351
 Iteration  2 RMS(Cart)=  0.00012427 RMS(Int)=  0.00000986
 Iteration  3 RMS(Cart)=  0.00000003 RMS(Int)=  0.00000986
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.60804   0.00003  -0.00031  -0.00017  -0.00047   2.60757
    R2        2.71455  -0.00073   0.00072  -0.00162  -0.00090   2.71365
    R3        1.85928  -0.00058  -0.00024  -0.00104  -0.00129   1.85799
    R4        2.71549  -0.00008   0.00019  -0.00019   0.00000   2.71549
    R5        1.85531   0.00153   0.00264   0.00246   0.00510   1.86041
    R6        2.28671  -0.00016   0.00106  -0.00041   0.00065   2.28737
    R7        2.69378  -0.00032  -0.00047  -0.00018  -0.00065   2.69313
    R8        1.87035   0.00053   0.00174   0.00144   0.00318   1.87353
    R9        2.29264   0.00017  -0.00022   0.00028   0.00006   2.29270
   R10        2.94747   0.00005  -0.00066   0.00045  -0.00019   2.94728
   R11        2.97385  -0.00041  -0.00169  -0.00119  -0.00288   2.97097
   R12        2.89839   0.00021   0.00005   0.00091   0.00097   2.89937
   R13        2.89185  -0.00034  -0.00001  -0.00125  -0.00126   2.89059
   R14        2.89680   0.00066   0.00038   0.00226   0.00264   2.89944
   R15        2.90520   0.00014  -0.00021   0.00059   0.00037   2.90557
   R16        2.12075   0.00000  -0.00077   0.00013  -0.00064   2.12011
   R17        2.93974   0.00025   0.00008   0.00109   0.00115   2.94089
   R18        2.90408   0.00034  -0.00090   0.00108   0.00018   2.90426
   R19        2.11706   0.00001   0.00021   0.00011   0.00033   2.11738
   R20        2.96282   0.00045   0.00105   0.00049   0.00152   2.96434
   R21        2.97358   0.00033  -0.00055   0.00055  -0.00001   2.97358
   R22        2.95738   0.00000  -0.00027   0.00060   0.00033   2.95771
   R23        2.90226   0.00031  -0.00072   0.00049  -0.00023   2.90204
   R24        2.93430  -0.00003  -0.00085   0.00064  -0.00022   2.93408
   R25        2.08460  -0.00004  -0.00115  -0.00010  -0.00125   2.08335
   R26        2.08146   0.00008   0.00220  -0.00012   0.00208   2.08355
   R27        2.90818  -0.00003   0.00018  -0.00046  -0.00029   2.90788
   R28        2.09603   0.00007   0.00031   0.00017   0.00048   2.09651
   R29        2.10180  -0.00022  -0.00009  -0.00074  -0.00083   2.10097
   R30        2.87616   0.00010  -0.00027   0.00058   0.00031   2.87646
   R31        2.12034  -0.00012   0.00058  -0.00024   0.00034   2.12068
   R32        2.11365  -0.00011  -0.00161  -0.00047  -0.00208   2.11157
   R33        2.89292   0.00007   0.00043   0.00012   0.00054   2.89346
   R34        2.90931   0.00028   0.00001   0.00034   0.00035   2.90967
   R35        2.86775   0.00034   0.00102   0.00056   0.00157   2.86932
   R36        2.89544   0.00020   0.00017   0.00025   0.00042   2.89587
   R37        2.09353  -0.00006  -0.00012  -0.00018  -0.00031   2.09322
   R38        2.09575   0.00013   0.00026   0.00025   0.00051   2.09627
   R39        2.06731   0.00006   0.00017   0.00014   0.00030   2.06762
   R40        2.07418  -0.00001  -0.00018  -0.00010  -0.00028   2.07390
   R41        2.08306  -0.00011   0.00031  -0.00028   0.00003   2.08309
   R42        2.83970   0.00005  -0.00023   0.00009  -0.00013   2.83957
   R43        2.09931  -0.00002  -0.00039  -0.00001  -0.00040   2.09891
   R44        2.09958  -0.00010  -0.00044  -0.00026  -0.00069   2.09889
   R45        2.53353  -0.00007  -0.00006  -0.00011  -0.00017   2.53335
   R46        2.86699   0.00035  -0.00150   0.00158   0.00008   2.86707
   R47        2.07657  -0.00009  -0.00018  -0.00025  -0.00044   2.07613
   R48        2.07351  -0.00003  -0.00010   0.00000  -0.00010   2.07341
   R49        2.07062   0.00007   0.00100   0.00003   0.00103   2.07165
   R50        2.07494  -0.00005   0.00014  -0.00021  -0.00007   2.07487
   R51        2.07853   0.00015   0.00007   0.00026   0.00033   2.07886
   R52        2.07628   0.00004   0.00028  -0.00010   0.00018   2.07645
   R53        2.52056   0.00005  -0.00006   0.00005  -0.00001   2.52055
   R54        2.06302  -0.00009  -0.00031  -0.00032  -0.00062   2.06240
   R55        2.79445  -0.00010  -0.00001  -0.00025  -0.00026   2.79419
   R56        2.06247   0.00002   0.00014   0.00004   0.00018   2.06265
   R57        2.09369   0.00020  -0.00029   0.00052   0.00023   2.09391
   R58        2.10095  -0.00005  -0.00042   0.00012  -0.00029   2.10065
   R59        2.81825  -0.00006   0.00008  -0.00020  -0.00012   2.81814
   R60        2.06276  -0.00002   0.00034  -0.00015   0.00019   2.06295
    A1        1.93043  -0.00038   0.00130  -0.00233  -0.00104   1.92939
    A2        1.94266  -0.00008  -0.00344  -0.00036  -0.00380   1.93886
    A3        1.92562  -0.00031  -0.00208  -0.00020  -0.00228   1.92334
    A4        1.74513   0.00000   0.00100  -0.00064   0.00036   1.74549
    A5        1.88808   0.00006  -0.00076   0.00129   0.00053   1.88861
    A6        1.98893  -0.00002   0.00033  -0.00032   0.00002   1.98895
    A7        2.00883  -0.00001  -0.00065   0.00073   0.00009   2.00891
    A8        1.90146   0.00008  -0.00065  -0.00003  -0.00068   1.90078
    A9        1.92727  -0.00009   0.00072  -0.00096  -0.00024   1.92703
   A10        1.93537  -0.00001  -0.00011   0.00070   0.00059   1.93595
   A11        1.82118  -0.00005  -0.00077  -0.00188  -0.00265   1.81853
   A12        1.88663  -0.00002   0.00258  -0.00079   0.00179   1.88841
   A13        2.07470   0.00005   0.00149   0.00001   0.00151   2.07622
   A14        1.87909   0.00004  -0.00269   0.00215  -0.00053   1.87856
   A15        1.85869  -0.00002  -0.00017  -0.00043  -0.00060   1.85808
   A16        1.89613  -0.00001   0.00049   0.00059   0.00106   1.89720
   A17        1.93824   0.00007  -0.00027   0.00066   0.00041   1.93865
   A18        1.90893   0.00000  -0.00044  -0.00030  -0.00074   1.90819
   A19        1.94705  -0.00003   0.00061   0.00010   0.00070   1.94774
   A20        1.87160  -0.00003  -0.00104  -0.00102  -0.00205   1.86955
   A21        1.90046   0.00000   0.00060  -0.00010   0.00050   1.90097
   A22        1.88559   0.00005   0.00019   0.00082   0.00101   1.88661
   A23        1.80125   0.00001   0.00190   0.00087   0.00278   1.80403
   A24        1.82421  -0.00004   0.00010  -0.00002   0.00007   1.82428
   A25        1.98593  -0.00013  -0.00274  -0.00185  -0.00461   1.98132
   A26        1.94070  -0.00006   0.00141   0.00092   0.00231   1.94301
   A27        2.00858   0.00017  -0.00050  -0.00045  -0.00093   2.00766
   A28        1.91899  -0.00005   0.00256  -0.00144   0.00112   1.92011
   A29        1.97411   0.00009  -0.00042   0.00213   0.00173   1.97584
   A30        1.79193   0.00000  -0.00232  -0.00005  -0.00228   1.78965
   A31        1.82265   0.00010   0.00003   0.00048   0.00047   1.82312
   A32        1.98910   0.00010   0.00142   0.00017   0.00161   1.99072
   A33        1.97170  -0.00023  -0.00121  -0.00128  -0.00247   1.96923
   A34        1.83415  -0.00006  -0.00092  -0.00057  -0.00153   1.83262
   A35        1.95013   0.00001   0.00088  -0.00087   0.00002   1.95015
   A36        1.94712   0.00002  -0.00113   0.00103  -0.00009   1.94702
   A37        1.92936   0.00003   0.00079   0.00017   0.00097   1.93034
   A38        1.95324   0.00003  -0.00063   0.00078   0.00015   1.95340
   A39        1.85203  -0.00004   0.00102  -0.00052   0.00050   1.85253
   A40        1.96479   0.00003   0.00033  -0.00106  -0.00076   1.96403
   A41        1.92567   0.00008   0.00024   0.00057   0.00082   1.92649
   A42        1.92021  -0.00009  -0.00012  -0.00018  -0.00030   1.91992
   A43        1.92110  -0.00004  -0.00049   0.00021  -0.00027   1.92084
   A44        1.88033   0.00002   0.00053   0.00071   0.00124   1.88158
   A45        1.84756  -0.00001  -0.00054  -0.00019  -0.00073   1.84683
   A46        1.85447  -0.00004   0.00081  -0.00092  -0.00013   1.85435
   A47        1.96841   0.00001  -0.00086   0.00043  -0.00043   1.96798
   A48        1.87028   0.00005  -0.00015   0.00170   0.00155   1.87183
   A49        1.97392  -0.00003  -0.00045  -0.00034  -0.00078   1.97314
   A50        1.90025   0.00000  -0.00006  -0.00052  -0.00058   1.89967
   A51        1.89290   0.00001   0.00073  -0.00026   0.00046   1.89336
   A52        1.94756  -0.00017  -0.00012  -0.00400  -0.00410   1.94346
   A53        1.81193   0.00008   0.00034   0.00207   0.00240   1.81433
   A54        1.87749   0.00005   0.00109   0.00139   0.00248   1.87997
   A55        2.01070   0.00011  -0.00160  -0.00098  -0.00263   2.00807
   A56        1.90472   0.00005   0.00016   0.00125   0.00144   1.90616
   A57        1.90571  -0.00012   0.00029   0.00046   0.00078   1.90648
   A58        1.87960   0.00005   0.00045   0.00080   0.00123   1.88083
   A59        1.96838   0.00008   0.00094   0.00034   0.00128   1.96966
   A60        1.91458  -0.00002  -0.00081  -0.00002  -0.00083   1.91375
   A61        1.87144  -0.00012  -0.00070  -0.00061  -0.00131   1.87013
   A62        1.96141  -0.00004   0.00004  -0.00051  -0.00048   1.96093
   A63        1.86951   0.00006   0.00012  -0.00002   0.00009   1.86961
   A64        1.95815   0.00000  -0.00075  -0.00101  -0.00178   1.95637
   A65        1.91087   0.00005   0.00078   0.00083   0.00161   1.91248
   A66        1.92654   0.00005  -0.00024   0.00094   0.00071   1.92725
   A67        1.91075  -0.00005  -0.00001  -0.00029  -0.00029   1.91046
   A68        1.91109  -0.00003   0.00033  -0.00020   0.00013   1.91123
   A69        1.84286  -0.00003  -0.00007  -0.00022  -0.00029   1.84257
   A70        1.97124  -0.00014   0.00023  -0.00054  -0.00031   1.97093
   A71        1.95398  -0.00014   0.00008  -0.00127  -0.00119   1.95279
   A72        1.93738   0.00010   0.00006   0.00058   0.00064   1.93802
   A73        1.87253   0.00015   0.00009   0.00103   0.00112   1.87365
   A74        1.88443   0.00005  -0.00082   0.00021  -0.00061   1.88381
   A75        1.83757   0.00000   0.00034   0.00009   0.00043   1.83799
   A76        1.94451   0.00001  -0.00135  -0.00120  -0.00256   1.94195
   A77        1.92920  -0.00001   0.00016  -0.00040  -0.00024   1.92897
   A78        1.90707   0.00001   0.00089   0.00063   0.00152   1.90859
   A79        1.91149   0.00002   0.00032   0.00034   0.00066   1.91216
   A80        1.93588  -0.00001   0.00035   0.00071   0.00107   1.93695
   A81        1.83265  -0.00002  -0.00029   0.00000  -0.00029   1.83236
   A82        2.01896   0.00001  -0.00005  -0.00044  -0.00051   2.01845
   A83        2.14103   0.00000  -0.00039   0.00033  -0.00006   2.14097
   A84        2.12307  -0.00001   0.00044   0.00009   0.00055   2.12361
   A85        2.14058  -0.00021   0.00134  -0.00108   0.00026   2.14084
   A86        2.11536   0.00006  -0.00098  -0.00005  -0.00102   2.11433
   A87        2.02712   0.00014  -0.00037   0.00107   0.00071   2.02783
   A88        1.94065   0.00002   0.00101   0.00007   0.00109   1.94174
   A89        1.93881   0.00001   0.00069  -0.00037   0.00032   1.93913
   A90        1.96684  -0.00003  -0.00198   0.00046  -0.00151   1.96533
   A91        1.87001  -0.00002  -0.00043  -0.00049  -0.00091   1.86910
   A92        1.87059   0.00000   0.00012   0.00082   0.00095   1.87154
   A93        1.87228   0.00001   0.00060  -0.00052   0.00007   1.87235
   A94        1.95431  -0.00006  -0.00014  -0.00022  -0.00036   1.95395
   A95        1.96229   0.00014  -0.00036   0.00030  -0.00006   1.96223
   A96        1.93331   0.00010   0.00045   0.00026   0.00071   1.93402
   A97        1.86079   0.00000   0.00056   0.00032   0.00088   1.86168
   A98        1.87855  -0.00003  -0.00024  -0.00011  -0.00035   1.87821
   A99        1.86985  -0.00016  -0.00029  -0.00057  -0.00086   1.86899
   A100       2.16352  -0.00006  -0.00033   0.00011  -0.00023   2.16329
   A101       2.00986   0.00012   0.00001   0.00022   0.00023   2.01009
   A102       2.10959  -0.00006   0.00033  -0.00032   0.00002   2.10961
   A103       2.14845   0.00003   0.00044  -0.00017   0.00027   2.14872
   A104       2.14017  -0.00008   0.00021  -0.00034  -0.00013   2.14004
   A105       1.99442   0.00005  -0.00065   0.00054  -0.00010   1.99432
   A106       1.94672   0.00006  -0.00044   0.00040  -0.00005   1.94668
   A107       1.82651   0.00003   0.00037   0.00025   0.00062   1.82713
   A108       1.90406  -0.00011   0.00220  -0.00092   0.00128   1.90534
   A109       1.96926  -0.00010   0.00019  -0.00022  -0.00003   1.96923
   A110       1.92358   0.00012  -0.00092   0.00087  -0.00005   1.92353
   A111       1.89014  -0.00001  -0.00128  -0.00047  -0.00175   1.88839
   A112       2.13194  -0.00003   0.00021  -0.00015   0.00006   2.13200
   A113       2.14737  -0.00001   0.00053  -0.00021   0.00033   2.14769
   A114       2.00387   0.00004  -0.00074   0.00036  -0.00038   2.00348
   A115       2.14188  -0.00005   0.00008  -0.00010  -0.00002   2.14186
   A116       2.12397  -0.00005   0.00006  -0.00003   0.00003   2.12401
   A117       2.01731   0.00010  -0.00017   0.00016   0.00000   2.01732
    D1       -1.35954  -0.00004   0.00908  -0.02119  -0.01212  -1.37165
    D2        0.67034   0.00011   0.01047  -0.02022  -0.00973   0.66061
    D3        2.80069  -0.00012   0.00742  -0.02067  -0.01327   2.78742
    D4       -1.18299  -0.00008  -0.00937  -0.02312  -0.03253  -1.21552
    D5        2.92420  -0.00016  -0.00759  -0.02098  -0.02854   2.89566
    D6        0.90567  -0.00008  -0.00855  -0.02306  -0.03161   0.87406
    D7        0.50485   0.00009   0.00105   0.00375   0.00480   0.50965
    D8        2.63937   0.00003   0.00127   0.00386   0.00513   2.64451
    D9       -1.62420  -0.00002   0.00099   0.00303   0.00402  -1.62019
   D10        3.02819   0.00008   0.00212   0.00343   0.00556   3.03374
   D11        0.77447   0.00005   0.00088   0.00428   0.00515   0.77963
   D12       -1.19901   0.00011   0.00037   0.00596   0.00632  -1.19268
   D13       -1.14769   0.00009   0.00158   0.00445   0.00604  -1.14164
   D14        2.88179   0.00006   0.00033   0.00531   0.00564   2.88743
   D15        0.90831   0.00012  -0.00018   0.00699   0.00681   0.91512
   D16        1.00290   0.00000   0.00217   0.00396   0.00614   1.00904
   D17       -1.25081  -0.00003   0.00092   0.00481   0.00573  -1.24508
   D18        3.05889   0.00003   0.00041   0.00650   0.00691   3.06580
   D19        1.44652   0.00006   0.00376   0.00106   0.00484   1.45135
   D20       -0.67644  -0.00008   0.00291  -0.00100   0.00192  -0.67452
   D21       -2.83604   0.00008   0.00355   0.00016   0.00370  -2.83234
   D22       -0.57133   0.00000   0.00433  -0.00039   0.00395  -0.56737
   D23       -2.69429  -0.00014   0.00348  -0.00245   0.00104  -2.69325
   D24        1.42929   0.00002   0.00412  -0.00129   0.00282   1.43211
   D25       -2.74645   0.00006   0.00437   0.00037   0.00476  -2.74169
   D26        1.41378  -0.00008   0.00353  -0.00168   0.00184   1.41563
   D27       -0.74582   0.00008   0.00417  -0.00052   0.00363  -0.74220
   D28        0.96268   0.00001   0.00140   0.00113   0.00252   0.96519
   D29       -1.19097  -0.00002   0.00160   0.00119   0.00280  -1.18817
   D30        3.06006  -0.00001   0.00220   0.00119   0.00338   3.06345
   D31        2.89681   0.00003   0.00180   0.00154   0.00334   2.90015
   D32        0.74317   0.00001   0.00200   0.00161   0.00362   0.74679
   D33       -1.28898   0.00002   0.00260   0.00161   0.00420  -1.28478
   D34       -1.22482   0.00005   0.00102   0.00127   0.00229  -1.22253
   D35        2.90471   0.00003   0.00123   0.00134   0.00258   2.90729
   D36        0.87257   0.00004   0.00182   0.00134   0.00316   0.87572
   D37        0.96418   0.00006   0.01083   0.01730   0.02814   0.99232
   D38        3.08017   0.00005   0.01118   0.01732   0.02850   3.10867
   D39       -1.15509   0.00002   0.01170   0.01699   0.02869  -1.12641
   D40       -0.96760   0.00003   0.00983   0.01827   0.02810  -0.93950
   D41        1.14838   0.00002   0.01018   0.01828   0.02846   1.17684
   D42       -3.08688   0.00000   0.01069   0.01796   0.02865  -3.05823
   D43        3.09331   0.00005   0.01062   0.01804   0.02866   3.12197
   D44       -1.07389   0.00004   0.01097   0.01805   0.02902  -1.04487
   D45        0.97403   0.00002   0.01148   0.01773   0.02921   1.00324
   D46        1.08692  -0.00004   0.00149  -0.00310  -0.00161   1.08530
   D47       -3.04866  -0.00003   0.00240  -0.00214   0.00025  -3.04841
   D48       -0.95073   0.00001   0.00270  -0.00205   0.00065  -0.95008
   D49       -3.08647  -0.00007   0.00148  -0.00507  -0.00359  -3.09007
   D50       -0.93886  -0.00006   0.00240  -0.00411  -0.00173  -0.94059
   D51        1.15907  -0.00003   0.00269  -0.00402  -0.00133   1.15774
   D52       -0.97366  -0.00003   0.00006  -0.00384  -0.00379  -0.97745
   D53        1.17395  -0.00003   0.00098  -0.00289  -0.00192   1.17203
   D54       -3.01131   0.00001   0.00127  -0.00279  -0.00152  -3.01283
   D55       -0.57684   0.00000  -0.00377  -0.00623  -0.01000  -0.58684
   D56        1.51613   0.00000  -0.00291  -0.00685  -0.00976   1.50637
   D57       -2.69699  -0.00002  -0.00178  -0.00739  -0.00917  -2.70616
   D58       -2.74357   0.00001  -0.00399  -0.00560  -0.00958  -2.75315
   D59       -0.65060   0.00002  -0.00313  -0.00621  -0.00934  -0.65994
   D60        1.41947  -0.00001  -0.00200  -0.00676  -0.00875   1.41072
   D61        1.41652  -0.00006  -0.00129  -0.00812  -0.00941   1.40711
   D62       -2.77370  -0.00005  -0.00043  -0.00873  -0.00917  -2.78287
   D63       -0.70363  -0.00008   0.00070  -0.00928  -0.00858  -0.71221
   D64        1.12671   0.00003  -0.00365  -0.00261  -0.00626   1.12046
   D65       -0.86220   0.00006  -0.00459  -0.00316  -0.00774  -0.86994
   D66        3.11893  -0.00002  -0.00268  -0.00168  -0.00436   3.11457
   D67       -1.01559  -0.00003  -0.00404  -0.00391  -0.00796  -1.02355
   D68       -3.00450  -0.00001  -0.00498  -0.00447  -0.00944  -3.01395
   D69        0.97664  -0.00008  -0.00307  -0.00299  -0.00607   0.97057
   D70       -3.09503   0.00001  -0.00448  -0.00321  -0.00769  -3.10272
   D71        1.19924   0.00004  -0.00542  -0.00376  -0.00918   1.19006
   D72       -1.10281  -0.00004  -0.00351  -0.00228  -0.00580  -1.10861
   D73       -3.04764   0.00000  -0.00183  -0.00273  -0.00454  -3.05218
   D74        1.11046   0.00002  -0.00186  -0.00226  -0.00411   1.10635
   D75       -0.91099   0.00000  -0.00210  -0.00301  -0.00510  -0.91610
   D76       -0.92962   0.00002  -0.00097  -0.00144  -0.00241  -0.93203
   D77       -3.05471   0.00004  -0.00101  -0.00097  -0.00198  -3.05669
   D78        1.20703   0.00002  -0.00124  -0.00173  -0.00297   1.20405
   D79        1.13260  -0.00004  -0.00151  -0.00270  -0.00420   1.12840
   D80       -0.99249  -0.00002  -0.00154  -0.00223  -0.00377  -0.99626
   D81       -3.01394  -0.00004  -0.00177  -0.00298  -0.00476  -3.01871
   D82        2.91620   0.00001   0.00698   0.00874   0.01572   2.93192
   D83       -1.30682   0.00006   0.00620   0.00778   0.01399  -1.29284
   D84        0.84369   0.00002   0.00557   0.00867   0.01424   0.85793
   D85       -1.32835   0.00001   0.00706   0.00935   0.01638  -1.31196
   D86        0.73182   0.00006   0.00628   0.00839   0.01465   0.74647
   D87        2.88233   0.00002   0.00565   0.00927   0.01491   2.89723
   D88        0.94025  -0.00003   0.00593   0.00844   0.01437   0.95461
   D89        3.00041   0.00002   0.00516   0.00748   0.01263   3.01304
   D90       -1.13227  -0.00002   0.00452   0.00837   0.01289  -1.11937
   D91        1.06973   0.00001   0.00525   0.00509   0.01033   1.08006
   D92        3.13106  -0.00006   0.00522   0.00505   0.01027   3.14133
   D93       -1.06996   0.00005   0.00542   0.00523   0.01065  -1.05932
   D94       -0.96053   0.00001   0.00429   0.00370   0.00799  -0.95254
   D95        1.10081  -0.00007   0.00426   0.00366   0.00792   1.10873
   D96       -3.10022   0.00005   0.00446   0.00384   0.00830  -3.09192
   D97        3.03222   0.00009   0.00735   0.00590   0.01327   3.04549
   D98       -1.18963   0.00001   0.00732   0.00587   0.01320  -1.17643
   D99        0.89253   0.00012   0.00752   0.00604   0.01358   0.90611
   D100      -1.74424   0.00000  -0.00842  -0.00276  -0.01119  -1.75543
   D101       0.42776  -0.00006  -0.00895  -0.00357  -0.01253   0.41523
   D102       2.50953  -0.00001  -0.00867  -0.00253  -0.01121   2.49832
   D103       0.34192   0.00005  -0.00554  -0.00306  -0.00860   0.33332
   D104       2.51392  -0.00001  -0.00608  -0.00386  -0.00994   2.50398
   D105      -1.68750   0.00004  -0.00580  -0.00282  -0.00861  -1.69612
   D106       2.51270   0.00010  -0.00449  -0.00328  -0.00776   2.50494
   D107      -1.59848   0.00004  -0.00502  -0.00409  -0.00910  -1.60759
   D108       0.48328   0.00009  -0.00474  -0.00305  -0.00778   0.47551
   D109      -2.61306   0.00000  -0.00903   0.00203  -0.00698  -2.62005
   D110       0.51157  -0.00009  -0.00903  -0.00141  -0.01043   0.50114
   D111       1.59564   0.00002  -0.01141   0.00371  -0.00771   1.58794
   D112      -1.56291  -0.00007  -0.01141   0.00026  -0.01115  -1.57406
   D113      -0.48108  -0.00002  -0.01155   0.00390  -0.00766  -0.48874
   D114       2.64355  -0.00010  -0.01155   0.00045  -0.01111   2.63245
   D115       0.13993   0.00002   0.00585   0.00594   0.01179   0.15171
   D116      -2.02866   0.00006   0.00664   0.00627   0.01292  -2.01575
   D117       2.14908   0.00006   0.00606   0.00719   0.01324   2.16233
   D118      -1.96677   0.00003   0.00493   0.00722   0.01215  -1.95462
   D119       2.14782   0.00006   0.00572   0.00756   0.01328   2.16110
   D120       0.04238   0.00007   0.00514   0.00847   0.01361   0.05599
   D121       2.25607   0.00003   0.00353   0.00726   0.01079   2.26686
   D122       0.08748   0.00006   0.00432   0.00760   0.01192   0.09940
   D123      -2.01796   0.00007   0.00374   0.00851   0.01225  -2.00571
   D124       1.35093  -0.00013  -0.00629  -0.01120  -0.01750   1.33343
   D125      -0.78377  -0.00003  -0.00543  -0.00709  -0.01252  -0.79629
   D126      -2.93376  -0.00009  -0.00474  -0.00839  -0.01313  -2.94689
   D127      -2.77607  -0.00003  -0.00611  -0.01106  -0.01717  -2.79324
   D128       1.37242   0.00006  -0.00525  -0.00695  -0.01220   1.36022
   D129      -0.77757   0.00001  -0.00456  -0.00826  -0.01281  -0.79038
   D130      -0.76932  -0.00005  -0.00670  -0.01079  -0.01749  -0.78681
   D131      -2.90402   0.00004  -0.00585  -0.00667  -0.01252  -2.91653
   D132       1.22919  -0.00001  -0.00516  -0.00798  -0.01313   1.21606
   D133       0.96054   0.00005  -0.00167  -0.00550  -0.00716   0.95338
   D134       3.04151   0.00005  -0.00107  -0.00632  -0.00738   3.03413
   D135      -1.14014   0.00005  -0.00119  -0.00693  -0.00810  -1.14824
   D136       3.06551  -0.00002  -0.00156  -0.00665  -0.00822   3.05729
   D137      -1.13670  -0.00002  -0.00096  -0.00746  -0.00844  -1.14514
   D138       0.96484  -0.00002  -0.00109  -0.00807  -0.00916   0.95568
   D139      -1.10806  -0.00003  -0.00142  -0.00770  -0.00913  -1.11719
   D140       0.97291  -0.00003  -0.00083  -0.00852  -0.00935   0.96356
   D141       3.07445  -0.00003  -0.00095  -0.00913  -0.01007   3.06438
   D142       0.97245   0.00007  -0.00080  -0.00019  -0.00100   0.97146
   D143      -2.18574   0.00002  -0.00064  -0.00186  -0.00250  -2.18825
   D144      -1.15036   0.00002  -0.00177  -0.00070  -0.00247  -1.15283
   D145       1.97463  -0.00003  -0.00161  -0.00236  -0.00398   1.97066
   D146       3.08305   0.00005  -0.00149   0.00000  -0.00150   3.08155
   D147      -0.07515   0.00000  -0.00134  -0.00167  -0.00300  -0.07815
   D148      -0.91863   0.00003   0.00449   0.01093   0.01542  -0.90320
   D149       1.17594   0.00007   0.00486   0.01140   0.01627   1.19221
   D150      -3.01578   0.00004   0.00457   0.01105   0.01562  -3.00016
   D151       1.14749   0.00005   0.00512   0.01172   0.01683   1.16432
   D152      -3.04113   0.00010   0.00550   0.01219   0.01768  -3.02345
   D153      -0.94967   0.00006   0.00520   0.01183   0.01703  -0.93264
   D154      -3.02672  -0.00004   0.00484   0.01076   0.01561  -3.01111
   D155      -0.93215   0.00001   0.00522   0.01123   0.01646  -0.91570
   D156       1.15930  -0.00003   0.00493   0.01088   0.01581   1.17511
   D157       2.15932   0.00001   0.00223   0.00279   0.00502   2.16433
   D158      -1.00441   0.00000   0.00257   0.00333   0.00589  -0.99852
   D159       0.06894  -0.00001   0.00220   0.00213   0.00433   0.07327
   D160      -3.09479  -0.00001   0.00253   0.00267   0.00521  -3.08958
   D161      -1.98198   0.00012   0.00296   0.00318   0.00614  -1.97584
   D162       1.13748   0.00012   0.00330   0.00372   0.00702   1.14449
   D163       0.89452   0.00003   0.00414   0.00490   0.00903   0.90356
   D164      -1.23507   0.00000   0.00455   0.00556   0.01011  -1.22496
   D165       3.03972   0.00003   0.00430   0.00543   0.00972   3.04943
   D166       3.01969   0.00007   0.00462   0.00507   0.00969   3.02938
   D167       0.89010   0.00004   0.00503   0.00573   0.01076   0.90086
   D168      -1.11830   0.00007   0.00478   0.00560   0.01037  -1.10793
   D169      -1.25086  -0.00001   0.00472   0.00453   0.00925  -1.24161
   D170       2.90273  -0.00004   0.00513   0.00520   0.01033   2.91306
   D171       0.89433  -0.00001   0.00488   0.00506   0.00994   0.90427
   D172      -0.95080  -0.00008  -0.00340  -0.00414  -0.00753  -0.95833
   D173       2.20721  -0.00003  -0.00354  -0.00250  -0.00604   2.20117
   D174       1.18900  -0.00007  -0.00388  -0.00521  -0.00910   1.17990
   D175      -1.93617  -0.00002  -0.00403  -0.00357  -0.00760  -1.94378
   D176      -3.07940  -0.00009  -0.00384  -0.00461  -0.00845  -3.08785
   D177       0.07861  -0.00004  -0.00399  -0.00297  -0.00695   0.07166
   D178       0.03369  -0.00009  -0.00104  -0.00205  -0.00309   0.03060
   D179      -3.12700  -0.00001  -0.00028   0.00022  -0.00006  -3.12706
   D180      -3.12548  -0.00014  -0.00088  -0.00382  -0.00470  -3.13017
   D181      -0.00299  -0.00006  -0.00012  -0.00154  -0.00166  -0.00465
   D182      -0.25307  -0.00003   0.00029   0.00004   0.00033  -0.25273
   D183      -2.30321  -0.00004  -0.00001  -0.00040  -0.00041  -2.30361
   D184       1.86469  -0.00005   0.00215  -0.00026   0.00189   1.86658
   D185       2.90522   0.00006   0.00026   0.00345   0.00371   2.90893
   D186       0.85508   0.00005  -0.00004   0.00300   0.00297   0.85805
   D187      -1.26021   0.00004   0.00212   0.00314   0.00527  -1.25494
   D188      -0.02049   0.00011  -0.00065   0.00110   0.00045  -0.02004
   D189       3.12656   0.00001  -0.00081   0.00007  -0.00074   3.12582
   D190      -3.13874   0.00011  -0.00099   0.00052  -0.00048  -3.13921
   D191       0.00831   0.00001  -0.00116  -0.00051  -0.00167   0.00664
   D192      -3.11359  -0.00009   0.00251   0.00000   0.00251  -3.11108
   D193       0.02082   0.00018   0.00264   0.00522   0.00786   0.02868
   D194       0.04565  -0.00016   0.00180  -0.00209  -0.00029   0.04536
   D195      -3.10313   0.00010   0.00193   0.00313   0.00506  -3.09807
   D196       3.10664   0.00008  -0.00165   0.00044  -0.00121   3.10544
   D197      -0.02784  -0.00018  -0.00179  -0.00472  -0.00650  -0.03434
   D198      -0.03999   0.00017  -0.00150   0.00139  -0.00010  -0.04009
   D199       3.10871  -0.00010  -0.00163  -0.00377  -0.00540   3.10332
         Item               Value     Threshold  Converged?
 Maximum Force            0.001530     0.000450     NO 
 RMS     Force            0.000139     0.000300     YES
 Maximum Displacement     0.066438     0.001800     NO 
 RMS     Displacement     0.013912     0.001200     NO 
 Predicted change in Energy=-4.465219D-05
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C22H29FO5
 Framework group  C1[X(C22H29FO5)]
 Deg. of freedom   165
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          9           0        1.543962    0.051273   -1.389807
      2          8           0       -3.019273    0.238008   -1.810227
      3          8           0        0.339466   -2.211725    1.129744
      4          8           0       -4.887172   -0.144433    1.035561
      5          8           0       -5.563391   -2.440840   -0.209328
      6          8           0        6.476346   -0.163223   -1.412250
      7          6           0       -1.651172   -0.131551    0.207431
      8          6           0       -0.752589    1.123267   -0.017165
      9          6           0        0.628476    0.929787    0.622644
     10          6           0        1.332977   -0.275058   -0.065789
     11          6           0       -3.009487    0.395843   -0.382957
     12          6           0       -1.627719    2.300871    0.442715
     13          6           0       -1.026333   -1.310488   -0.549993
     14          6           0       -3.079018    1.891601    0.072644
     15          6           0        0.437665   -1.560532   -0.147443
     16          6           0        2.775756   -0.504632    0.518800
     17          6           0        1.469985    2.211631    0.519194
     18          6           0       -1.857438   -0.492393    1.679515
     19          6           0        2.897479    2.007346    1.037710
     20          6           0        3.545103    0.813404    0.395060
     21          6           0       -4.238209   -0.416838    0.050794
     22          6           0       -3.704638    2.798541   -0.977604
     23          6           0        2.762929   -0.884515    2.010876
     24          6           0        3.453564   -1.641022   -0.225957
     25          6           0        4.730186    0.904077   -0.225057
     26          6           0       -4.621477   -1.580294   -0.844381
     27          6           0        4.630426   -1.529442   -0.843709
     28          6           0        5.389365   -0.246216   -0.879758
     29          1           0       -0.600601    1.252307   -1.121219
     30          1           0        0.502438    0.664257    1.703878
     31          1           0       -1.538834    2.476362    1.527483
     32          1           0       -1.328462    3.242942   -0.045750
     33          1           0       -1.097254   -1.147327   -1.645060
     34          1           0       -1.599096   -2.240974   -0.344560
     35          1           0       -3.713103    1.928503    0.997815
     36          1           0        0.897864   -2.284318   -0.863626
     37          1           0        0.981591    3.023560    1.092963
     38          1           0        1.504744    2.568189   -0.530662
     39          1           0       -2.284099    0.328401    2.263802
     40          1           0       -2.520474   -1.358676    1.799359
     41          1           0       -0.905934   -0.786582    2.151963
     42          1           0        2.896546    1.880854    2.141178
     43          1           0        3.490884    2.928210    0.854683
     44          1           0       -4.695966    2.433599   -1.279425
     45          1           0       -3.839731    3.816360   -0.590770
     46          1           0       -3.095773    2.873661   -1.886148
     47          1           0        2.173137   -0.177738    2.609336
     48          1           0        2.333168   -1.881862    2.186364
     49          1           0        3.782839   -0.896009    2.419582
     50          1           0       -2.494723    0.950085   -2.239748
     51          1           0        2.916983   -2.591254   -0.210692
     52          1           0        1.197811   -2.620074    1.386079
     53          1           0        5.284117    1.841491   -0.301238
     54          1           0       -3.762266   -2.235878   -1.088804
     55          1           0       -5.054169   -1.205402   -1.797233
     56          1           0        5.111448   -2.360493   -1.363046
     57          1           0       -6.121541   -1.926267    0.428334
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.4205242      0.1032450      0.0947902
 Standard basis: VSTO-6G (5D, 7F)
 There are   141 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   141 basis functions,   846 primitive gaussians,   141 cartesian basis functions
    77 alpha electrons       77 beta electrons
       nuclear repulsion energy      1659.8326793352 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   141 RedAO= F  NBF=   141
 NBsUse=   141 1.00D-04 NBFU=   141
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=982442.
 SCF Done:  E(RPM6) = -0.417985897372     A.U. after   12 cycles
             Convg  =    0.7387D-08             -V/T =  0.9987
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        9          -0.000041412    0.000001754   -0.000083923
      2        8           0.000352486   -0.000336056   -0.000069633
      3        8          -0.000192558   -0.000371083    0.000203304
      4        8           0.000409508    0.000004178    0.000450468
      5        8           0.000022548   -0.000070037    0.000047780
      6        8           0.000136687   -0.000012533    0.000100889
      7        6          -0.000083040    0.000196414    0.000204900
      8        6           0.000559379   -0.000068382   -0.000128911
      9        6          -0.000178148   -0.000047461   -0.000139745
     10        6          -0.000214828   -0.000106619   -0.000061299
     11        6           0.000215977   -0.000125374    0.000620335
     12        6           0.000310575   -0.000376152    0.000677041
     13        6           0.000028703    0.000287563    0.000113953
     14        6          -0.000536278   -0.000113142   -0.000378281
     15        6          -0.000300647   -0.000150266   -0.000119263
     16        6           0.000110591   -0.000009791    0.000075913
     17        6          -0.000035141   -0.000015229    0.000073319
     18        6           0.000355418   -0.000011214   -0.000289158
     19        6           0.000049987    0.000060699    0.000025972
     20        6           0.000073908    0.000154403    0.000043212
     21        6          -0.000690049    0.000132417   -0.001046536
     22        6           0.000112605   -0.000022811    0.000208326
     23        6          -0.000040252   -0.000160920   -0.000002507
     24        6          -0.000079053   -0.000153255   -0.000103149
     25        6           0.000086693   -0.000037303    0.000147031
     26        6          -0.000226045    0.000083424    0.000210379
     27        6           0.000155127   -0.000021247    0.000171223
     28        6          -0.000214742    0.000080302   -0.000327392
     29        1          -0.000142188    0.000100062    0.000097950
     30        1          -0.000009244   -0.000009963    0.000020210
     31        1           0.000041543   -0.000023517   -0.000233961
     32        1          -0.000131125    0.000287865   -0.000388087
     33        1          -0.000016652   -0.000048326   -0.000065535
     34        1           0.000043354   -0.000124332    0.000021732
     35        1           0.000135629   -0.000060349    0.000202923
     36        1           0.000075993    0.000168929    0.000117801
     37        1          -0.000023859    0.000027306    0.000045883
     38        1          -0.000000576    0.000016301   -0.000033289
     39        1          -0.000074143   -0.000027388   -0.000015179
     40        1          -0.000012044    0.000106060    0.000016743
     41        1          -0.000135197    0.000006324    0.000049308
     42        1          -0.000023016    0.000002723   -0.000068211
     43        1          -0.000003920   -0.000008957   -0.000018246
     44        1           0.000021763    0.000035414   -0.000016433
     45        1           0.000051467   -0.000003346   -0.000008960
     46        1          -0.000146371   -0.000038454   -0.000090325
     47        1          -0.000041868    0.000040678    0.000063242
     48        1           0.000065926    0.000077122   -0.000037130
     49        1          -0.000023721    0.000071101   -0.000011115
     50        1          -0.000053548    0.000184983   -0.000038944
     51        1          -0.000006585    0.000023984    0.000004737
     52        1           0.000398684    0.000258927   -0.000196920
     53        1          -0.000070348   -0.000030473   -0.000002765
     54        1           0.000150856    0.000072092   -0.000050173
     55        1          -0.000144042    0.000091213   -0.000006413
     56        1          -0.000093867   -0.000027499   -0.000027627
     57        1           0.000019104    0.000039241    0.000044536
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.001046536 RMS     0.000195447

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.000655727 RMS     0.000089107
 Search for a local minimum.
 Step number  22 out of a maximum of  342
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   19   20   21   22
 DE= -4.63D-05 DEPred=-4.47D-05 R= 1.04D+00
 SS=  1.41D+00  RLast= 1.59D-01 DXNew= 3.1318D+00 4.7763D-01
 Trust test= 1.04D+00 RLast= 1.59D-01 DXMaxT set to 1.86D+00
     Eigenvalues ---    0.00117   0.00168   0.00214   0.00246   0.00269
     Eigenvalues ---    0.00317   0.00397   0.00485   0.00516   0.00588
     Eigenvalues ---    0.00669   0.00708   0.00837   0.01235   0.01352
     Eigenvalues ---    0.01389   0.01447   0.01542   0.01656   0.01701
     Eigenvalues ---    0.01766   0.02094   0.02227   0.02317   0.02537
     Eigenvalues ---    0.03045   0.03292   0.03673   0.03749   0.03811
     Eigenvalues ---    0.03945   0.04082   0.04265   0.04426   0.04558
     Eigenvalues ---    0.04654   0.04818   0.04872   0.04973   0.05019
     Eigenvalues ---    0.05032   0.05145   0.05221   0.05301   0.05348
     Eigenvalues ---    0.05369   0.05418   0.05522   0.05543   0.05628
     Eigenvalues ---    0.05766   0.05921   0.06120   0.06268   0.06751
     Eigenvalues ---    0.06929   0.07021   0.07131   0.07214   0.07343
     Eigenvalues ---    0.07734   0.07985   0.08180   0.08299   0.08312
     Eigenvalues ---    0.08353   0.09085   0.09192   0.09301   0.10679
     Eigenvalues ---    0.11250   0.11753   0.11967   0.12975   0.13491
     Eigenvalues ---    0.14034   0.14697   0.15038   0.15061   0.15582
     Eigenvalues ---    0.15866   0.15927   0.15997   0.15999   0.16002
     Eigenvalues ---    0.16006   0.16016   0.16020   0.16050   0.16131
     Eigenvalues ---    0.16187   0.16326   0.16682   0.17197   0.17772
     Eigenvalues ---    0.18483   0.19252   0.19353   0.19971   0.21212
     Eigenvalues ---    0.21443   0.22423   0.22928   0.23559   0.24323
     Eigenvalues ---    0.24979   0.25186   0.25460   0.25889   0.26534
     Eigenvalues ---    0.26628   0.27629   0.27818   0.27918   0.28421
     Eigenvalues ---    0.28797   0.29193   0.29422   0.29632   0.30261
     Eigenvalues ---    0.30729   0.31471   0.32210   0.32443   0.33315
     Eigenvalues ---    0.33565   0.33758   0.33856   0.33911   0.33998
     Eigenvalues ---    0.34033   0.34063   0.34080   0.34106   0.34130
     Eigenvalues ---    0.34189   0.34226   0.34262   0.34273   0.34305
     Eigenvalues ---    0.34330   0.34360   0.34375   0.34446   0.34498
     Eigenvalues ---    0.34642   0.34949   0.35050   0.35121   0.35378
     Eigenvalues ---    0.35545   0.35628   0.39548   0.42353   0.44245
     Eigenvalues ---    0.45265   0.47594   0.48571   0.52554   0.53495
     Eigenvalues ---    0.54236   0.57256   0.58151   0.89561   0.92777
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    22   21   20   19   18
 RFO step:  Lambda=-5.47965561D-06.
 DIIS coeffs:      1.09269      0.02507     -0.22455      0.09893      0.00786
 Iteration  1 RMS(Cart)=  0.00860293 RMS(Int)=  0.00004248
 Iteration  2 RMS(Cart)=  0.00005030 RMS(Int)=  0.00000437
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000437
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.60757  -0.00009  -0.00019  -0.00020  -0.00039   2.60718
    R2        2.71365  -0.00013  -0.00003  -0.00066  -0.00069   2.71297
    R3        1.85799  -0.00018  -0.00017  -0.00031  -0.00048   1.85751
    R4        2.71549  -0.00007   0.00001   0.00001   0.00001   2.71551
    R5        1.86041   0.00051   0.00110   0.00098   0.00209   1.86250
    R6        2.28737  -0.00058   0.00011  -0.00056  -0.00045   2.28691
    R7        2.69313  -0.00009  -0.00019  -0.00016  -0.00035   2.69278
    R8        1.87353  -0.00006   0.00067   0.00024   0.00091   1.87444
    R9        2.29270   0.00017   0.00005   0.00004   0.00008   2.29279
   R10        2.94728   0.00014  -0.00003   0.00061   0.00058   2.94786
   R11        2.97097   0.00012  -0.00075   0.00075   0.00000   2.97098
   R12        2.89937  -0.00001   0.00038   0.00006   0.00045   2.89982
   R13        2.89059   0.00023  -0.00007   0.00076   0.00068   2.89128
   R14        2.89944  -0.00028   0.00042  -0.00137  -0.00095   2.89849
   R15        2.90557   0.00008   0.00008  -0.00007   0.00001   2.90558
   R16        2.12011   0.00007  -0.00015   0.00014  -0.00001   2.12009
   R17        2.94089  -0.00013   0.00021  -0.00076  -0.00056   2.94032
   R18        2.90426  -0.00006  -0.00004  -0.00065  -0.00069   2.90357
   R19        2.11738  -0.00002   0.00008   0.00017   0.00025   2.11763
   R20        2.96434  -0.00004   0.00030   0.00005   0.00035   2.96469
   R21        2.97358   0.00002  -0.00020   0.00039   0.00019   2.97377
   R22        2.95771   0.00024   0.00007   0.00135   0.00142   2.95913
   R23        2.90204   0.00066   0.00009   0.00130   0.00139   2.90343
   R24        2.93408   0.00023   0.00008   0.00030   0.00038   2.93447
   R25        2.08335   0.00024  -0.00027   0.00051   0.00025   2.08360
   R26        2.08355  -0.00046   0.00045  -0.00101  -0.00056   2.08299
   R27        2.90788  -0.00008   0.00011  -0.00049  -0.00038   2.90750
   R28        2.09651  -0.00006   0.00014  -0.00018  -0.00004   2.09647
   R29        2.10097  -0.00013  -0.00004  -0.00052  -0.00055   2.10041
   R30        2.87646   0.00007  -0.00001   0.00012   0.00011   2.87657
   R31        2.12068  -0.00024  -0.00006  -0.00046  -0.00052   2.12015
   R32        2.11157   0.00022  -0.00035   0.00015  -0.00019   2.11137
   R33        2.89346  -0.00008   0.00005  -0.00017  -0.00012   2.89333
   R34        2.90967  -0.00001   0.00005  -0.00007  -0.00002   2.90965
   R35        2.86932  -0.00015   0.00027  -0.00034  -0.00007   2.86924
   R36        2.89587   0.00004   0.00010  -0.00008   0.00002   2.89588
   R37        2.09322  -0.00003  -0.00006  -0.00007  -0.00013   2.09309
   R38        2.09627  -0.00004   0.00010  -0.00007   0.00003   2.09629
   R39        2.06762   0.00006   0.00009   0.00019   0.00028   2.06790
   R40        2.07390   0.00009  -0.00002   0.00016   0.00014   2.07404
   R41        2.08309  -0.00014  -0.00002  -0.00016  -0.00018   2.08291
   R42        2.83957   0.00000   0.00001  -0.00018  -0.00017   2.83941
   R43        2.09891   0.00007  -0.00009   0.00021   0.00012   2.09903
   R44        2.09889   0.00000  -0.00014   0.00000  -0.00014   2.09875
   R45        2.53335  -0.00001   0.00002  -0.00008  -0.00006   2.53329
   R46        2.86707   0.00035  -0.00008   0.00078   0.00070   2.86777
   R47        2.07613  -0.00001  -0.00011  -0.00008  -0.00019   2.07594
   R48        2.07341   0.00000  -0.00012  -0.00001  -0.00013   2.07328
   R49        2.07165  -0.00016   0.00041  -0.00044  -0.00003   2.07162
   R50        2.07487  -0.00003  -0.00001  -0.00003  -0.00004   2.07482
   R51        2.07886   0.00005   0.00011   0.00003   0.00014   2.07900
   R52        2.07645  -0.00002   0.00003  -0.00012  -0.00009   2.07636
   R53        2.52055   0.00004   0.00003  -0.00004  -0.00001   2.52055
   R54        2.06240   0.00002  -0.00014  -0.00001  -0.00015   2.06224
   R55        2.79419  -0.00006  -0.00003  -0.00020  -0.00023   2.79396
   R56        2.06265  -0.00001   0.00005   0.00004   0.00009   2.06274
   R57        2.09391   0.00015  -0.00003   0.00041   0.00038   2.09429
   R58        2.10065   0.00002  -0.00013   0.00011  -0.00002   2.10063
   R59        2.81814  -0.00008  -0.00001  -0.00010  -0.00010   2.81803
   R60        2.06295  -0.00008   0.00004  -0.00013  -0.00009   2.06287
    A1        1.92939   0.00011   0.00124  -0.00116   0.00008   1.92947
    A2        1.93886   0.00014  -0.00061  -0.00028  -0.00088   1.93798
    A3        1.92334   0.00002  -0.00064   0.00020  -0.00044   1.92290
    A4        1.74549  -0.00007   0.00008   0.00000   0.00007   1.74556
    A5        1.88861   0.00006   0.00002  -0.00009  -0.00008   1.88854
    A6        1.98895  -0.00002   0.00006  -0.00018  -0.00013   1.98883
    A7        2.00891   0.00002  -0.00007   0.00008   0.00001   2.00893
    A8        1.90078   0.00008   0.00019   0.00047   0.00066   1.90143
    A9        1.92703  -0.00008  -0.00024  -0.00025  -0.00049   1.92654
   A10        1.93595  -0.00001   0.00008   0.00003   0.00011   1.93606
   A11        1.81853   0.00008  -0.00040  -0.00012  -0.00053   1.81800
   A12        1.88841  -0.00008   0.00032  -0.00070  -0.00038   1.88803
   A13        2.07622  -0.00010   0.00030  -0.00038  -0.00008   2.07613
   A14        1.87856   0.00011  -0.00007   0.00075   0.00069   1.87924
   A15        1.85808  -0.00002  -0.00021   0.00033   0.00012   1.85821
   A16        1.89720  -0.00005   0.00013  -0.00107  -0.00095   1.89625
   A17        1.93865   0.00000  -0.00001  -0.00043  -0.00043   1.93822
   A18        1.90819   0.00002  -0.00011   0.00039   0.00029   1.90848
   A19        1.94774   0.00001   0.00006  -0.00002   0.00004   1.94778
   A20        1.86955   0.00003  -0.00022   0.00031   0.00008   1.86963
   A21        1.90097  -0.00001   0.00014   0.00085   0.00099   1.90195
   A22        1.88661  -0.00004   0.00014  -0.00017  -0.00003   1.88657
   A23        1.80403   0.00000   0.00055   0.00030   0.00086   1.80489
   A24        1.82428   0.00002  -0.00005   0.00015   0.00010   1.82438
   A25        1.98132   0.00008  -0.00087  -0.00056  -0.00144   1.97987
   A26        1.94301   0.00000   0.00062   0.00068   0.00129   1.94430
   A27        2.00766  -0.00008  -0.00029  -0.00036  -0.00064   2.00702
   A28        1.92011  -0.00012   0.00062  -0.00012   0.00050   1.92062
   A29        1.97584  -0.00003  -0.00096  -0.00025  -0.00121   1.97463
   A30        1.78965   0.00022   0.00065   0.00098   0.00163   1.79128
   A31        1.82312   0.00008   0.00023   0.00055   0.00077   1.82389
   A32        1.99072  -0.00006   0.00045  -0.00087  -0.00041   1.99030
   A33        1.96923  -0.00010  -0.00100  -0.00036  -0.00136   1.96787
   A34        1.83262   0.00001  -0.00035   0.00008  -0.00028   1.83233
   A35        1.95015  -0.00004   0.00003  -0.00087  -0.00084   1.94932
   A36        1.94702   0.00006  -0.00014   0.00130   0.00117   1.94820
   A37        1.93034   0.00002   0.00026  -0.00027  -0.00001   1.93032
   A38        1.95340  -0.00001   0.00003   0.00052   0.00056   1.95395
   A39        1.85253  -0.00004   0.00017  -0.00075  -0.00058   1.85195
   A40        1.96403  -0.00011  -0.00035  -0.00034  -0.00070   1.96332
   A41        1.92649   0.00001   0.00018  -0.00036  -0.00017   1.92631
   A42        1.91992   0.00001   0.00006  -0.00013  -0.00006   1.91985
   A43        1.92084   0.00004  -0.00031   0.00031   0.00000   1.92084
   A44        1.88158   0.00007   0.00035   0.00048   0.00084   1.88242
   A45        1.84683  -0.00001   0.00010   0.00007   0.00017   1.84700
   A46        1.85435  -0.00009  -0.00006  -0.00032  -0.00039   1.85396
   A47        1.96798   0.00005  -0.00031  -0.00020  -0.00050   1.96748
   A48        1.87183   0.00004   0.00037   0.00078   0.00115   1.87298
   A49        1.97314   0.00001  -0.00012  -0.00018  -0.00029   1.97285
   A50        1.89967   0.00003  -0.00006   0.00002  -0.00004   1.89963
   A51        1.89336  -0.00004   0.00021  -0.00005   0.00016   1.89351
   A52        1.94346  -0.00018  -0.00093  -0.00199  -0.00291   1.94055
   A53        1.81433   0.00017   0.00049   0.00108   0.00157   1.81590
   A54        1.87997   0.00001   0.00059   0.00048   0.00107   1.88104
   A55        2.00807   0.00001  -0.00068  -0.00007  -0.00077   2.00730
   A56        1.90616   0.00006   0.00038   0.00046   0.00084   1.90700
   A57        1.90648  -0.00006   0.00023   0.00009   0.00033   1.90681
   A58        1.88083   0.00003   0.00025   0.00063   0.00088   1.88171
   A59        1.96966  -0.00007   0.00018  -0.00036  -0.00018   1.96948
   A60        1.91375   0.00002  -0.00029  -0.00010  -0.00038   1.91337
   A61        1.87013   0.00004  -0.00006  -0.00002  -0.00008   1.87005
   A62        1.96093  -0.00004  -0.00010  -0.00018  -0.00028   1.96066
   A63        1.86961   0.00002   0.00002   0.00001   0.00002   1.86963
   A64        1.95637  -0.00003  -0.00042  -0.00039  -0.00082   1.95555
   A65        1.91248  -0.00003   0.00034  -0.00010   0.00025   1.91273
   A66        1.92725   0.00002   0.00010  -0.00001   0.00009   1.92734
   A67        1.91046   0.00004   0.00000   0.00060   0.00061   1.91107
   A68        1.91123   0.00001   0.00005   0.00006   0.00012   1.91135
   A69        1.84257  -0.00001  -0.00006  -0.00013  -0.00019   1.84238
   A70        1.97093   0.00001  -0.00004   0.00021   0.00017   1.97110
   A71        1.95279  -0.00006  -0.00013  -0.00061  -0.00074   1.95205
   A72        1.93802   0.00004   0.00015   0.00042   0.00057   1.93859
   A73        1.87365   0.00002   0.00002   0.00029   0.00031   1.87396
   A74        1.88381   0.00001  -0.00017   0.00018   0.00001   1.88383
   A75        1.83799  -0.00002   0.00017  -0.00051  -0.00035   1.83765
   A76        1.94195   0.00001  -0.00054  -0.00044  -0.00099   1.94096
   A77        1.92897  -0.00002  -0.00006   0.00003  -0.00003   1.92894
   A78        1.90859   0.00000   0.00029   0.00013   0.00043   1.90902
   A79        1.91216   0.00002   0.00017   0.00026   0.00043   1.91259
   A80        1.93695  -0.00001   0.00023   0.00012   0.00035   1.93730
   A81        1.83236   0.00000  -0.00006  -0.00008  -0.00014   1.83221
   A82        2.01845  -0.00004  -0.00010  -0.00019  -0.00031   2.01815
   A83        2.14097   0.00007  -0.00002   0.00019   0.00017   2.14115
   A84        2.12361  -0.00004   0.00011   0.00000   0.00013   2.12375
   A85        2.14084  -0.00027   0.00023  -0.00074  -0.00052   2.14033
   A86        2.11433   0.00012  -0.00056   0.00080   0.00024   2.11457
   A87        2.02783   0.00015   0.00030   0.00002   0.00032   2.02814
   A88        1.94174  -0.00007   0.00038  -0.00047  -0.00009   1.94165
   A89        1.93913  -0.00005   0.00018  -0.00016   0.00002   1.93915
   A90        1.96533   0.00013  -0.00089   0.00086  -0.00003   1.96530
   A91        1.86910   0.00006  -0.00002   0.00029   0.00027   1.86937
   A92        1.87154  -0.00003   0.00009  -0.00039  -0.00030   1.87124
   A93        1.87235  -0.00004   0.00028  -0.00014   0.00014   1.87250
   A94        1.95395  -0.00006  -0.00005  -0.00029  -0.00035   1.95360
   A95        1.96223   0.00003  -0.00009  -0.00004  -0.00013   1.96211
   A96        1.93402   0.00005   0.00017   0.00029   0.00045   1.93447
   A97        1.86168   0.00001   0.00026  -0.00022   0.00004   1.86172
   A98        1.87821   0.00004  -0.00010   0.00075   0.00065   1.87886
   A99        1.86899  -0.00008  -0.00018  -0.00048  -0.00067   1.86832
   A100       2.16329   0.00004  -0.00001   0.00004   0.00002   2.16331
   A101       2.01009  -0.00001   0.00003  -0.00015  -0.00011   2.00997
   A102       2.10961  -0.00003  -0.00001   0.00012   0.00011   2.10972
   A103       2.14872  -0.00006   0.00006  -0.00013  -0.00009   2.14864
   A104       2.14004  -0.00004  -0.00005  -0.00021  -0.00025   2.13979
   A105       1.99432   0.00010   0.00000   0.00034   0.00035   1.99467
   A106       1.94668   0.00007  -0.00026   0.00026   0.00001   1.94668
   A107       1.82713  -0.00001   0.00019  -0.00052  -0.00032   1.82680
   A108       1.90534  -0.00015   0.00015  -0.00037  -0.00022   1.90512
   A109       1.96923  -0.00011   0.00014  -0.00052  -0.00038   1.96885
   A110       1.92353   0.00013   0.00000   0.00044   0.00044   1.92397
   A111       1.88839   0.00005  -0.00021   0.00067   0.00046   1.88885
   A112       2.13200  -0.00003  -0.00002   0.00002  -0.00001   2.13199
   A113       2.14769  -0.00005   0.00006  -0.00011  -0.00005   2.14765
   A114       2.00348   0.00008  -0.00004   0.00009   0.00006   2.00354
   A115       2.14186  -0.00001   0.00002   0.00013   0.00015   2.14201
   A116       2.12401  -0.00001   0.00000  -0.00006  -0.00005   2.12396
   A117       2.01732   0.00002  -0.00002  -0.00008  -0.00010   2.01722
    D1       -1.37165   0.00003   0.02124   0.00174   0.02298  -1.34867
    D2        0.66061   0.00004   0.02134   0.00220   0.02353   0.68414
    D3        2.78742   0.00004   0.02003   0.00226   0.02230   2.80972
    D4       -1.21552  -0.00001  -0.00628  -0.01350  -0.01979  -1.23531
    D5        2.89566  -0.00003  -0.00524  -0.01299  -0.01822   2.87745
    D6        0.87406  -0.00004  -0.00599  -0.01381  -0.01980   0.85426
    D7        0.50965   0.00008   0.00136   0.00021   0.00157   0.51122
    D8        2.64451  -0.00002   0.00150  -0.00060   0.00091   2.64541
    D9       -1.62019  -0.00003   0.00143  -0.00026   0.00117  -1.61902
   D10        3.03374  -0.00008   0.00098  -0.00031   0.00068   3.03442
   D11        0.77963  -0.00001   0.00084   0.00023   0.00107   0.78070
   D12       -1.19268   0.00000   0.00113   0.00020   0.00134  -1.19135
   D13       -1.14164  -0.00006   0.00095  -0.00026   0.00069  -1.14095
   D14        2.88743   0.00001   0.00081   0.00028   0.00109   2.88852
   D15        0.91512   0.00002   0.00110   0.00025   0.00135   0.91647
   D16        1.00904  -0.00013   0.00070  -0.00078  -0.00008   1.00896
   D17       -1.24508  -0.00006   0.00056  -0.00024   0.00032  -1.24476
   D18        3.06580  -0.00005   0.00085  -0.00027   0.00058   3.06638
   D19        1.45135  -0.00004  -0.00015   0.00210   0.00195   1.45331
   D20       -0.67452   0.00001   0.00053   0.00213   0.00267  -0.67185
   D21       -2.83234   0.00012   0.00135   0.00272   0.00407  -2.82827
   D22       -0.56737  -0.00008  -0.00018   0.00218   0.00200  -0.56538
   D23       -2.69325  -0.00003   0.00049   0.00221   0.00271  -2.69054
   D24        1.43211   0.00008   0.00131   0.00280   0.00411   1.43623
   D25       -2.74169  -0.00006   0.00003   0.00208   0.00211  -2.73958
   D26        1.41563  -0.00001   0.00070   0.00211   0.00282   1.41845
   D27       -0.74220   0.00010   0.00153   0.00270   0.00423  -0.73797
   D28        0.96519  -0.00003   0.00087  -0.00110  -0.00024   0.96495
   D29       -1.18817  -0.00001   0.00139  -0.00100   0.00039  -1.18778
   D30        3.06345  -0.00001   0.00113  -0.00080   0.00032   3.06377
   D31        2.90015  -0.00007   0.00094  -0.00112  -0.00019   2.89996
   D32        0.74679  -0.00004   0.00146  -0.00102   0.00044   0.74722
   D33       -1.28478  -0.00004   0.00120  -0.00082   0.00037  -1.28441
   D34       -1.22253   0.00000   0.00095  -0.00064   0.00030  -1.22223
   D35        2.90729   0.00003   0.00147  -0.00054   0.00093   2.90822
   D36        0.87572   0.00002   0.00120  -0.00034   0.00086   0.87658
   D37        0.99232   0.00002   0.00637   0.00969   0.01606   1.00838
   D38        3.10867   0.00001   0.00628   0.00977   0.01605   3.12472
   D39       -1.12641  -0.00003   0.00650   0.00901   0.01551  -1.11089
   D40       -0.93950   0.00006   0.00614   0.00951   0.01565  -0.92385
   D41        1.17684   0.00005   0.00604   0.00959   0.01563   1.19248
   D42       -3.05823   0.00001   0.00627   0.00883   0.01510  -3.04313
   D43        3.12197   0.00003   0.00626   0.00925   0.01550   3.13747
   D44       -1.04487   0.00001   0.00616   0.00933   0.01549  -1.02938
   D45        1.00324  -0.00003   0.00639   0.00857   0.01495   1.01820
   D46        1.08530  -0.00001  -0.00022   0.00202   0.00179   1.08709
   D47       -3.04841  -0.00003  -0.00006   0.00099   0.00091  -3.04749
   D48       -0.95008  -0.00003   0.00003   0.00203   0.00206  -0.94802
   D49       -3.09007   0.00002  -0.00048   0.00158   0.00109  -3.08897
   D50       -0.94059   0.00000  -0.00032   0.00055   0.00022  -0.94037
   D51        1.15774   0.00000  -0.00022   0.00160   0.00137   1.15911
   D52       -0.97745   0.00002  -0.00061   0.00239   0.00177  -0.97567
   D53        1.17203   0.00001  -0.00045   0.00136   0.00090   1.17293
   D54       -3.01283   0.00001  -0.00036   0.00240   0.00205  -3.01078
   D55       -0.58684   0.00000  -0.00182  -0.00264  -0.00446  -0.59130
   D56        1.50637   0.00001  -0.00171  -0.00339  -0.00510   1.50127
   D57       -2.70616  -0.00003  -0.00157  -0.00404  -0.00561  -2.71177
   D58       -2.75315   0.00001  -0.00179  -0.00232  -0.00411  -2.75726
   D59       -0.65994   0.00002  -0.00168  -0.00307  -0.00475  -0.66469
   D60        1.41072  -0.00002  -0.00154  -0.00373  -0.00526   1.40545
   D61        1.40711  -0.00006  -0.00173  -0.00334  -0.00507   1.40204
   D62       -2.78287  -0.00005  -0.00162  -0.00409  -0.00571  -2.78857
   D63       -0.71221  -0.00009  -0.00148  -0.00474  -0.00622  -0.71843
   D64        1.12046  -0.00003  -0.00145  -0.00295  -0.00440   1.11606
   D65       -0.86994  -0.00005  -0.00173  -0.00291  -0.00463  -0.87458
   D66        3.11457  -0.00002  -0.00110  -0.00251  -0.00361   3.11096
   D67       -1.02355   0.00000  -0.00157  -0.00166  -0.00323  -1.02678
   D68       -3.01395  -0.00002  -0.00185  -0.00162  -0.00347  -3.01742
   D69        0.97057   0.00001  -0.00122  -0.00123  -0.00245   0.96812
   D70       -3.10272  -0.00001  -0.00163  -0.00288  -0.00451  -3.10724
   D71        1.19006  -0.00004  -0.00191  -0.00284  -0.00475   1.18531
   D72       -1.10861   0.00000  -0.00128  -0.00245  -0.00373  -1.11234
   D73       -3.05218   0.00002  -0.00079   0.00038  -0.00040  -3.05258
   D74        1.10635   0.00001  -0.00076  -0.00004  -0.00080   1.10555
   D75       -0.91610   0.00002  -0.00094   0.00018  -0.00076  -0.91685
   D76       -0.93203  -0.00004  -0.00059  -0.00130  -0.00188  -0.93391
   D77       -3.05669  -0.00005  -0.00055  -0.00172  -0.00228  -3.05896
   D78        1.20405  -0.00003  -0.00074  -0.00150  -0.00224   1.20182
   D79        1.12840   0.00000  -0.00074  -0.00039  -0.00113   1.12727
   D80       -0.99626  -0.00001  -0.00071  -0.00082  -0.00153  -0.99779
   D81       -3.01871   0.00000  -0.00089  -0.00059  -0.00149  -3.02019
   D82        2.93192  -0.00005   0.00373   0.00278   0.00651   2.93843
   D83       -1.29284   0.00004   0.00321   0.00269   0.00589  -1.28694
   D84        0.85793   0.00001   0.00332   0.00311   0.00644   0.86437
   D85       -1.31196  -0.00005   0.00380   0.00249   0.00629  -1.30567
   D86        0.74647   0.00004   0.00329   0.00239   0.00567   0.75214
   D87        2.89723   0.00001   0.00340   0.00282   0.00622   2.90345
   D88        0.95461  -0.00004   0.00358   0.00259   0.00616   0.96078
   D89        3.01304   0.00005   0.00306   0.00249   0.00555   3.01859
   D90       -1.11937   0.00002   0.00317   0.00292   0.00609  -1.11328
   D91        1.08006  -0.00002   0.00216   0.00257   0.00473   1.08480
   D92        3.14133   0.00001   0.00236   0.00275   0.00510  -3.13676
   D93       -1.05932   0.00000   0.00230   0.00246   0.00475  -1.05457
   D94       -0.95254   0.00001   0.00173   0.00237   0.00410  -0.94844
   D95        1.10873   0.00004   0.00192   0.00254   0.00446   1.11319
   D96       -3.09192   0.00003   0.00186   0.00225   0.00411  -3.08780
   D97        3.04549  -0.00004   0.00266   0.00285   0.00553   3.05102
   D98       -1.17643  -0.00001   0.00286   0.00303   0.00589  -1.17054
   D99        0.90611  -0.00002   0.00280   0.00274   0.00554   0.91166
   D100      -1.75543   0.00013  -0.00213  -0.00371  -0.00584  -1.76127
   D101       0.41523   0.00011  -0.00252  -0.00428  -0.00680   0.40843
   D102       2.49832   0.00012  -0.00221  -0.00395  -0.00615   2.49217
   D103       0.33332   0.00002  -0.00175  -0.00364  -0.00539   0.32793
   D104       2.50398   0.00000  -0.00214  -0.00421  -0.00635   2.49763
   D105      -1.69612   0.00001  -0.00182  -0.00388  -0.00570  -1.70182
   D106       2.50494  -0.00007  -0.00163  -0.00455  -0.00618   2.49876
   D107      -1.60759  -0.00008  -0.00202  -0.00512  -0.00714  -1.61473
   D108       0.47551  -0.00007  -0.00171  -0.00479  -0.00650   0.46901
   D109      -2.62005  -0.00004  -0.00219  -0.00446  -0.00664  -2.62669
   D110       0.50114  -0.00005  -0.00394  -0.00065  -0.00459   0.49655
   D111       1.58794   0.00000  -0.00358  -0.00450  -0.00807   1.57987
   D112      -1.57406  -0.00001  -0.00533  -0.00069  -0.00602  -1.58008
   D113      -0.48874   0.00001  -0.00346  -0.00432  -0.00778  -0.49652
   D114       2.63245   0.00000  -0.00521  -0.00051  -0.00573   2.62672
   D115       0.15171  -0.00002   0.00228   0.00383   0.00611   0.15782
   D116      -2.01575  -0.00002   0.00278   0.00442   0.00720  -2.00854
   D117       2.16233   0.00000   0.00265   0.00458   0.00722   2.16955
   D118      -1.95462   0.00002   0.00231   0.00497   0.00728  -1.94734
   D119       2.16110   0.00001   0.00281   0.00556   0.00838   2.16948
   D120       0.05599   0.00003   0.00268   0.00572   0.00840   0.06439
   D121       2.26686   0.00006   0.00191   0.00575   0.00766   2.27452
   D122       0.09940   0.00005   0.00242   0.00634   0.00876   0.10816
   D123      -2.00571   0.00007   0.00228   0.00650   0.00878  -1.99693
   D124       1.33343  -0.00006  -0.00411  -0.00205  -0.00616   1.32727
   D125      -0.79629   0.00004  -0.00290  -0.00029  -0.00319  -0.79949
   D126      -2.94689   0.00001  -0.00310  -0.00092  -0.00401  -2.95090
   D127      -2.79324  -0.00010  -0.00436  -0.00252  -0.00688  -2.80012
   D128       1.36022   0.00000  -0.00315  -0.00077  -0.00392   1.35630
   D129      -0.79038  -0.00003  -0.00334  -0.00139  -0.00473  -0.79511
   D130      -0.78681  -0.00004  -0.00421  -0.00200  -0.00622  -0.79302
   D131      -2.91653   0.00006  -0.00300  -0.00025  -0.00325  -2.91978
   D132       1.21606   0.00002  -0.00319  -0.00087  -0.00406   1.21199
   D133       0.95338   0.00005   0.00157  -0.00112   0.00045   0.95383
   D134       3.03413   0.00005   0.00191  -0.00117   0.00074   3.03487
   D135      -1.14824   0.00005   0.00179  -0.00087   0.00092  -1.14732
   D136       3.05729  -0.00002   0.00117  -0.00181  -0.00064   3.05665
   D137      -1.14514  -0.00003   0.00152  -0.00187  -0.00035  -1.14549
   D138       0.95568  -0.00002   0.00140  -0.00156  -0.00017   0.95551
   D139      -1.11719   0.00000   0.00116  -0.00193  -0.00077  -1.11796
   D140       0.96356  -0.00001   0.00151  -0.00199  -0.00048   0.96308
   D141       3.06438  -0.00001   0.00138  -0.00168  -0.00030   3.06408
   D142       0.97146  -0.00003  -0.00035  -0.00147  -0.00182   0.96963
   D143      -2.18825  -0.00002  -0.00070  -0.00113  -0.00184  -2.19008
   D144      -1.15283   0.00002  -0.00068  -0.00138  -0.00206  -1.15488
   D145       1.97066   0.00002  -0.00102  -0.00105  -0.00207   1.96858
   D146       3.08155  -0.00001  -0.00060  -0.00128  -0.00188   3.07967
   D147      -0.07815  -0.00001  -0.00095  -0.00095  -0.00190  -0.08005
   D148      -0.90320   0.00003   0.00289   0.00939   0.01228  -0.89092
   D149       1.19221   0.00002   0.00312   0.00887   0.01200   1.20421
   D150      -3.00016  -0.00002   0.00294   0.00843   0.01138  -2.98878
   D151       1.16432   0.00005   0.00327   0.00994   0.01321   1.17753
   D152      -3.02345   0.00005   0.00350   0.00943   0.01292  -3.01053
   D153      -0.93264   0.00000   0.00332   0.00898   0.01230  -0.92034
   D154      -3.01111   0.00003   0.00313   0.00972   0.01285  -2.99826
   D155      -0.91570   0.00003   0.00336   0.00921   0.01257  -0.90313
   D156       1.17511  -0.00001   0.00318   0.00877   0.01195   1.18706
   D157       2.16433   0.00003   0.00121   0.00190   0.00310   2.16743
   D158      -0.99852   0.00004   0.00165   0.00220   0.00384  -0.99467
   D159       0.07327   0.00001   0.00115   0.00129   0.00243   0.07571
   D160      -3.08958   0.00001   0.00159   0.00159   0.00318  -3.08640
   D161      -1.97584  -0.00003   0.00126   0.00141   0.00267  -1.97317
   D162       1.14449  -0.00003   0.00171   0.00171   0.00341   1.14791
   D163       0.90356   0.00004   0.00201   0.00249   0.00449   0.90805
   D164      -1.22496   0.00002   0.00220   0.00244   0.00464  -1.22032
   D165       3.04943   0.00003   0.00214   0.00244   0.00458   3.05401
   D166       3.02938   0.00001   0.00217   0.00251   0.00469   3.03406
   D167       0.90086  -0.00001   0.00237   0.00247   0.00483   0.90569
   D168      -1.10793   0.00000   0.00230   0.00247   0.00477  -1.10316
   D169      -1.24161   0.00002   0.00213   0.00273   0.00486  -1.23675
   D170       2.91306   0.00000   0.00233   0.00268   0.00501   2.91807
   D171       0.90427   0.00001   0.00227   0.00268   0.00494   0.90921
   D172      -0.95833   0.00000  -0.00156  -0.00102  -0.00258  -0.96091
   D173       2.20117  -0.00001  -0.00122  -0.00135  -0.00256   2.19861
   D174       1.17990  -0.00001  -0.00188  -0.00109  -0.00298   1.17693
   D175      -1.94378  -0.00001  -0.00154  -0.00142  -0.00296  -1.94674
   D176      -3.08785   0.00000  -0.00173  -0.00097  -0.00269  -3.09054
   D177       0.07166   0.00000  -0.00138  -0.00130  -0.00268   0.06898
   D178       0.03060  -0.00003  -0.00081  -0.00082  -0.00162   0.02898
   D179      -3.12706  -0.00002   0.00000  -0.00084  -0.00084  -3.12790
   D180      -3.13017  -0.00002  -0.00118  -0.00047  -0.00164  -3.13182
   D181      -0.00465  -0.00001  -0.00037  -0.00049  -0.00086  -0.00551
   D182      -0.25273  -0.00002  -0.00044  -0.00589  -0.00633  -0.25906
   D183      -2.30361   0.00001  -0.00060  -0.00507  -0.00567  -2.30928
   D184       1.86658  -0.00007  -0.00043  -0.00588  -0.00630   1.86028
   D185       2.90893   0.00000   0.00129  -0.00962  -0.00834   2.90059
   D186       0.85805   0.00003   0.00112  -0.00880  -0.00767   0.85037
   D187      -1.25494  -0.00005   0.00130  -0.00961  -0.00831  -1.26325
   D188      -0.02004   0.00002   0.00042   0.00013   0.00054  -0.01950
   D189       3.12582   0.00001   0.00007   0.00022   0.00030   3.12611
   D190      -3.13921   0.00001  -0.00005  -0.00019  -0.00024  -3.13945
   D191       0.00664   0.00001  -0.00039  -0.00009  -0.00049   0.00616
   D192      -3.11108  -0.00001  -0.00015   0.00173   0.00158  -3.10949
   D193       0.02868   0.00006   0.00235   0.00223   0.00458   0.03326
   D194       0.04536  -0.00002  -0.00089   0.00176   0.00087   0.04623
   D195      -3.09807   0.00005   0.00160   0.00226   0.00386  -3.09420
   D196       3.10544   0.00001   0.00033  -0.00139  -0.00106   3.10438
   D197      -0.03434  -0.00005  -0.00214  -0.00188  -0.00402  -0.03837
   D198      -0.04009   0.00002   0.00064  -0.00148  -0.00083  -0.04092
   D199       3.10332  -0.00005  -0.00183  -0.00197  -0.00380   3.09952
         Item               Value     Threshold  Converged?
 Maximum Force            0.000656     0.000450     NO 
 RMS     Force            0.000089     0.000300     YES
 Maximum Displacement     0.036443     0.001800     NO 
 RMS     Displacement     0.008603     0.001200     NO 
 Predicted change in Energy=-1.180274D-05
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C22H29FO5
 Framework group  C1[X(C22H29FO5)]
 Deg. of freedom   165
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          9           0        1.539234    0.052762   -1.388673
      2          8           0       -3.017728    0.240269   -1.811773
      3          8           0        0.337100   -2.208291    1.133322
      4          8           0       -4.883326   -0.141699    1.038653
      5          8           0       -5.565960   -2.436416   -0.208565
      6          8           0        6.477834   -0.153450   -1.411427
      7          6           0       -1.652127   -0.132845    0.207098
      8          6           0       -0.751575    1.121710   -0.013157
      9          6           0        0.627969    0.925207    0.627810
     10          6           0        1.331827   -0.277025   -0.065161
     11          6           0       -3.008779    0.397178   -0.384761
     12          6           0       -1.626332    2.298631    0.449193
     13          6           0       -1.026912   -1.310980   -0.551750
     14          6           0       -3.076827    1.894009    0.070117
     15          6           0        0.435898   -1.562316   -0.146474
     16          6           0        2.776155   -0.508926    0.514934
     17          6           0        1.469838    2.206784    0.529513
     18          6           0       -1.860704   -0.497127    1.678385
     19          6           0        2.896148    1.999347    1.050058
     20          6           0        3.544661    0.810279    0.399519
     21          6           0       -4.240021   -0.412515    0.050037
     22          6           0       -3.691969    2.802073   -0.985420
     23          6           0        2.766508   -0.899834    2.004175
     24          6           0        3.453390   -1.639196   -0.239515
     25          6           0        4.729548    0.905862   -0.220164
     26          6           0       -4.630913   -1.571828   -0.847844
     27          6           0        4.630342   -1.522952   -0.856227
     28          6           0        5.390261   -0.240095   -0.880624
     29          1           0       -0.598725    1.253392   -1.116773
     30          1           0        0.500443    0.654990    1.707843
     31          1           0       -1.541896    2.466919    1.535591
     32          1           0       -1.323167    3.243304   -0.031101
     33          1           0       -1.095250   -1.145047   -1.646542
     34          1           0       -1.601117   -2.240969   -0.349712
     35          1           0       -3.716620    1.934412    0.990864
     36          1           0        0.896436   -2.288100   -0.860253
     37          1           0        0.980764    3.017422    1.104393
     38          1           0        1.506805    2.566263   -0.519286
     39          1           0       -2.302026    0.317329    2.260930
     40          1           0       -2.512041   -1.372914    1.793883
     41          1           0       -0.907965   -0.778474    2.155916
     42          1           0        2.892497    1.864601    2.152606
     43          1           0        3.489889    2.921559    0.875557
     44          1           0       -4.682248    2.440114   -1.293837
     45          1           0       -3.826125    3.820720   -0.600635
     46          1           0       -3.076648    2.873906   -1.889851
     47          1           0        2.166603   -0.205121    2.606655
     48          1           0        2.349454   -1.904000    2.171716
     49          1           0        3.785842   -0.901853    2.414341
     50          1           0       -2.474523    0.939167   -2.239166
     51          1           0        2.915901   -2.588923   -0.232997
     52          1           0        1.191612   -2.631132    1.383129
     53          1           0        5.282233    1.844493   -0.290865
     54          1           0       -3.773246   -2.225629   -1.103131
     55          1           0       -5.072943   -1.192727   -1.794713
     56          1           0        5.110752   -2.349696   -1.382857
     57          1           0       -6.119491   -1.924816    0.436228
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.4206186      0.1032271      0.0948217
 Standard basis: VSTO-6G (5D, 7F)
 There are   141 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   141 basis functions,   846 primitive gaussians,   141 cartesian basis functions
    77 alpha electrons       77 beta electrons
       nuclear repulsion energy      1659.8907073273 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   141 RedAO= F  NBF=   141
 NBsUse=   141 1.00D-04 NBFU=   141
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=982442.
 SCF Done:  E(RPM6) = -0.417999189194     A.U. after   12 cycles
             Convg  =    0.4157D-08             -V/T =  0.9987
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        9           0.000055155    0.000020218    0.000063470
      2        8           0.000139415   -0.000082893   -0.000097327
      3        8           0.000118529   -0.000069595    0.000089346
      4        8           0.000232156   -0.000067963    0.000277269
      5        8          -0.000175834   -0.000169663   -0.000180215
      6        8           0.000145591   -0.000000886   -0.000025747
      7        6          -0.000082876    0.000166857   -0.000028356
      8        6           0.000033999   -0.000038205   -0.000104540
      9        6          -0.000083465   -0.000008344   -0.000168081
     10        6          -0.000064328    0.000119607   -0.000105913
     11        6          -0.000092072   -0.000269731    0.000286249
     12        6           0.000203665   -0.000230602    0.000550946
     13        6          -0.000047335    0.000073876    0.000111773
     14        6          -0.000274379    0.000050321   -0.000262523
     15        6          -0.000082793   -0.000157285   -0.000228175
     16        6           0.000096501    0.000023381    0.000045166
     17        6           0.000107571   -0.000145272    0.000027057
     18        6           0.000276830   -0.000061413   -0.000076726
     19        6           0.000003015   -0.000012473    0.000002220
     20        6          -0.000019797    0.000154572    0.000024814
     21        6          -0.000119586    0.000223923   -0.000523719
     22        6           0.000161729    0.000006457    0.000160872
     23        6          -0.000098011   -0.000091267   -0.000018340
     24        6          -0.000082526   -0.000149990   -0.000053623
     25        6           0.000165605   -0.000095577    0.000013934
     26        6          -0.000011021   -0.000065016    0.000223031
     27        6           0.000209293    0.000028477    0.000049188
     28        6          -0.000279181    0.000046494    0.000048042
     29        1          -0.000134065    0.000029927    0.000091917
     30        1           0.000022877   -0.000028466    0.000028178
     31        1           0.000001293   -0.000016328   -0.000217145
     32        1          -0.000119099    0.000253153   -0.000253284
     33        1          -0.000008868    0.000018438   -0.000076038
     34        1           0.000016128   -0.000038811    0.000000394
     35        1           0.000120417   -0.000001690    0.000157105
     36        1           0.000070066    0.000133189    0.000113459
     37        1           0.000002860    0.000001055   -0.000002328
     38        1           0.000014314   -0.000005752   -0.000030311
     39        1          -0.000050013    0.000006185    0.000043130
     40        1          -0.000042365    0.000051909    0.000026692
     41        1          -0.000102834   -0.000007530    0.000104263
     42        1          -0.000014294    0.000011046   -0.000026562
     43        1          -0.000000339   -0.000021400    0.000003260
     44        1          -0.000004296    0.000063148    0.000008099
     45        1           0.000046658   -0.000019258   -0.000014993
     46        1          -0.000150986   -0.000046511   -0.000106062
     47        1          -0.000027258    0.000017736    0.000044202
     48        1           0.000032433    0.000038035    0.000005175
     49        1          -0.000013663    0.000058176   -0.000003270
     50        1          -0.000054586    0.000055135   -0.000023687
     51        1          -0.000019021    0.000063784    0.000004840
     52        1           0.000005735   -0.000013500   -0.000053574
     53        1          -0.000054717    0.000002426   -0.000005496
     54        1           0.000091864   -0.000010158   -0.000017616
     55        1          -0.000069540    0.000057266   -0.000046458
     56        1          -0.000080180   -0.000014309   -0.000017605
     57        1           0.000085630    0.000165098    0.000163624
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000550946 RMS     0.000122265

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.000365854 RMS     0.000055362
 Search for a local minimum.
 Step number  23 out of a maximum of  342
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   19   20   21   22   23
 DE= -1.33D-05 DEPred=-1.18D-05 R= 1.13D+00
 SS=  1.41D+00  RLast= 9.74D-02 DXNew= 3.1318D+00 2.9221D-01
 Trust test= 1.13D+00 RLast= 9.74D-02 DXMaxT set to 1.86D+00
     Eigenvalues ---    0.00099   0.00163   0.00213   0.00254   0.00270
     Eigenvalues ---    0.00329   0.00392   0.00491   0.00515   0.00598
     Eigenvalues ---    0.00671   0.00709   0.00833   0.01230   0.01346
     Eigenvalues ---    0.01403   0.01449   0.01537   0.01676   0.01724
     Eigenvalues ---    0.01768   0.02095   0.02228   0.02333   0.02547
     Eigenvalues ---    0.03049   0.03320   0.03681   0.03766   0.03838
     Eigenvalues ---    0.03972   0.04089   0.04264   0.04424   0.04569
     Eigenvalues ---    0.04642   0.04798   0.04853   0.04975   0.05030
     Eigenvalues ---    0.05051   0.05158   0.05216   0.05296   0.05349
     Eigenvalues ---    0.05362   0.05421   0.05519   0.05532   0.05630
     Eigenvalues ---    0.05779   0.05921   0.06121   0.06270   0.06817
     Eigenvalues ---    0.06937   0.06994   0.07137   0.07220   0.07347
     Eigenvalues ---    0.07715   0.07976   0.08191   0.08296   0.08300
     Eigenvalues ---    0.08359   0.09112   0.09176   0.09285   0.10695
     Eigenvalues ---    0.11236   0.11755   0.11977   0.12962   0.13547
     Eigenvalues ---    0.13836   0.14616   0.14993   0.15051   0.15594
     Eigenvalues ---    0.15861   0.15928   0.15996   0.15998   0.16000
     Eigenvalues ---    0.16008   0.16012   0.16024   0.16053   0.16068
     Eigenvalues ---    0.16197   0.16315   0.16817   0.17079   0.17756
     Eigenvalues ---    0.18486   0.19271   0.19358   0.19964   0.21278
     Eigenvalues ---    0.21439   0.22423   0.22922   0.23602   0.24131
     Eigenvalues ---    0.24966   0.25233   0.25257   0.25928   0.26545
     Eigenvalues ---    0.26662   0.27674   0.27825   0.27923   0.28457
     Eigenvalues ---    0.28801   0.29226   0.29531   0.29991   0.30306
     Eigenvalues ---    0.30988   0.32096   0.32396   0.32585   0.33332
     Eigenvalues ---    0.33575   0.33766   0.33862   0.33943   0.34001
     Eigenvalues ---    0.34014   0.34062   0.34080   0.34117   0.34147
     Eigenvalues ---    0.34209   0.34218   0.34250   0.34272   0.34313
     Eigenvalues ---    0.34335   0.34350   0.34371   0.34430   0.34557
     Eigenvalues ---    0.34596   0.34814   0.34979   0.35087   0.35393
     Eigenvalues ---    0.35455   0.35595   0.38468   0.42228   0.44594
     Eigenvalues ---    0.45019   0.48335   0.48857   0.52392   0.53497
     Eigenvalues ---    0.53868   0.56962   0.58198   0.88989   0.92253
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    23   22   21   20   19
 RFO step:  Lambda=-2.37988276D-06.
 DIIS coeffs:      1.07972      0.08718     -0.25192      0.04014      0.04488
 Iteration  1 RMS(Cart)=  0.00374977 RMS(Int)=  0.00001009
 Iteration  2 RMS(Cart)=  0.00001177 RMS(Int)=  0.00000103
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000103
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.60718   0.00007   0.00002   0.00001   0.00003   2.60721
    R2        2.71297  -0.00012  -0.00049  -0.00018  -0.00067   2.71230
    R3        1.85751  -0.00008  -0.00026  -0.00024  -0.00050   1.85701
    R4        2.71551  -0.00007  -0.00011  -0.00028  -0.00039   2.71511
    R5        1.86250   0.00002   0.00064   0.00035   0.00098   1.86348
    R6        2.28691  -0.00033  -0.00013  -0.00022  -0.00035   2.28657
    R7        2.69278   0.00006  -0.00013   0.00008  -0.00005   2.69273
    R8        1.87444  -0.00024   0.00016  -0.00030  -0.00014   1.87430
    R9        2.29279   0.00012   0.00007   0.00017   0.00024   2.29303
   R10        2.94786   0.00004   0.00018   0.00019   0.00037   2.94823
   R11        2.97098   0.00004  -0.00031   0.00019  -0.00012   2.97086
   R12        2.89982   0.00002   0.00020  -0.00016   0.00003   2.89985
   R13        2.89128  -0.00011  -0.00024   0.00023  -0.00001   2.89126
   R14        2.89849   0.00013   0.00040  -0.00033   0.00007   2.89857
   R15        2.90558  -0.00003   0.00011  -0.00014  -0.00003   2.90555
   R16        2.12009   0.00007   0.00005   0.00000   0.00005   2.12014
   R17        2.94032   0.00007   0.00023   0.00007   0.00030   2.94063
   R18        2.90357   0.00017   0.00025   0.00006   0.00031   2.90389
   R19        2.11763  -0.00004  -0.00004  -0.00022  -0.00026   2.11737
   R20        2.96469  -0.00011   0.00006  -0.00018  -0.00012   2.96457
   R21        2.97377  -0.00008   0.00024  -0.00040  -0.00017   2.97360
   R22        2.95913  -0.00003   0.00023  -0.00045  -0.00022   2.95891
   R23        2.90343   0.00007   0.00031  -0.00014   0.00017   2.90360
   R24        2.93447   0.00007   0.00014   0.00022   0.00037   2.93483
   R25        2.08360   0.00022   0.00007   0.00058   0.00064   2.08424
   R26        2.08299  -0.00037  -0.00014  -0.00101  -0.00115   2.08183
   R27        2.90750   0.00005  -0.00012   0.00016   0.00004   2.90754
   R28        2.09647  -0.00008  -0.00002  -0.00028  -0.00029   2.09617
   R29        2.10041  -0.00004  -0.00018  -0.00018  -0.00036   2.10006
   R30        2.87657   0.00001   0.00010  -0.00008   0.00002   2.87659
   R31        2.12015  -0.00020  -0.00021  -0.00063  -0.00084   2.11931
   R32        2.11137   0.00019   0.00004   0.00043   0.00046   2.11184
   R33        2.89333  -0.00003   0.00005  -0.00024  -0.00019   2.89314
   R34        2.90965  -0.00002   0.00014  -0.00005   0.00009   2.90974
   R35        2.86924  -0.00008   0.00015  -0.00028  -0.00012   2.86912
   R36        2.89588   0.00002   0.00006   0.00004   0.00010   2.89599
   R37        2.09309   0.00000  -0.00005  -0.00007  -0.00013   2.09297
   R38        2.09629  -0.00003   0.00007  -0.00017  -0.00011   2.09619
   R39        2.06790   0.00000   0.00006   0.00004   0.00010   2.06800
   R40        2.07404   0.00006   0.00003   0.00023   0.00025   2.07429
   R41        2.08291  -0.00014  -0.00015  -0.00044  -0.00058   2.08232
   R42        2.83941   0.00008  -0.00001   0.00017   0.00015   2.83956
   R43        2.09903   0.00003   0.00000   0.00000   0.00001   2.09903
   R44        2.09875   0.00002  -0.00006  -0.00005  -0.00011   2.09864
   R45        2.53329   0.00006  -0.00003   0.00016   0.00013   2.53342
   R46        2.86777   0.00008   0.00038  -0.00038   0.00000   2.86777
   R47        2.07594   0.00003  -0.00008   0.00007  -0.00001   2.07593
   R48        2.07328   0.00002  -0.00005   0.00009   0.00004   2.07332
   R49        2.07162  -0.00017  -0.00001  -0.00051  -0.00052   2.07110
   R50        2.07482  -0.00002  -0.00005  -0.00005  -0.00010   2.07472
   R51        2.07900   0.00002   0.00011   0.00006   0.00017   2.07917
   R52        2.07636  -0.00001   0.00001   0.00001   0.00002   2.07639
   R53        2.52055   0.00007   0.00003   0.00017   0.00021   2.52075
   R54        2.06224   0.00006  -0.00005   0.00019   0.00015   2.06239
   R55        2.79396   0.00001  -0.00010   0.00006  -0.00004   2.79392
   R56        2.06274  -0.00003   0.00001  -0.00012  -0.00011   2.06262
   R57        2.09429   0.00006   0.00016  -0.00005   0.00010   2.09439
   R58        2.10063  -0.00003  -0.00003  -0.00016  -0.00019   2.10044
   R59        2.81803  -0.00004  -0.00008  -0.00019  -0.00027   2.81777
   R60        2.06287  -0.00006  -0.00005  -0.00017  -0.00022   2.06265
    A1        1.92947   0.00003  -0.00051   0.00060   0.00010   1.92957
    A2        1.93798   0.00008   0.00005  -0.00020  -0.00014   1.93783
    A3        1.92290   0.00009  -0.00025   0.00015  -0.00010   1.92280
    A4        1.74556  -0.00004  -0.00028  -0.00002  -0.00030   1.74526
    A5        1.88854   0.00005   0.00035   0.00007   0.00042   1.88896
    A6        1.98883  -0.00001  -0.00010  -0.00012  -0.00022   1.98860
    A7        2.00893   0.00004   0.00015   0.00026   0.00040   2.00933
    A8        1.90143   0.00003   0.00024   0.00040   0.00064   1.90207
    A9        1.92654  -0.00006  -0.00034  -0.00053  -0.00086   1.92568
   A10        1.93606  -0.00002   0.00025   0.00005   0.00030   1.93636
   A11        1.81800   0.00003  -0.00052   0.00001  -0.00052   1.81749
   A12        1.88803  -0.00006  -0.00020  -0.00040  -0.00060   1.88744
   A13        2.07613  -0.00003  -0.00009  -0.00017  -0.00026   2.07587
   A14        1.87924   0.00009   0.00059   0.00045   0.00104   1.88028
   A15        1.85821  -0.00002  -0.00008   0.00000  -0.00008   1.85813
   A16        1.89625  -0.00005   0.00017  -0.00033  -0.00016   1.89609
   A17        1.93822   0.00011   0.00013   0.00042   0.00055   1.93877
   A18        1.90848  -0.00002  -0.00005  -0.00015  -0.00019   1.90828
   A19        1.94778  -0.00003  -0.00001   0.00000  -0.00001   1.94778
   A20        1.86963   0.00001  -0.00015   0.00019   0.00004   1.86967
   A21        1.90195  -0.00003  -0.00011  -0.00014  -0.00025   1.90171
   A22        1.88657   0.00001   0.00011   0.00012   0.00024   1.88681
   A23        1.80489   0.00003   0.00009   0.00065   0.00074   1.80563
   A24        1.82438   0.00001   0.00011  -0.00021  -0.00010   1.82428
   A25        1.97987   0.00003  -0.00027  -0.00039  -0.00067   1.97921
   A26        1.94430   0.00003   0.00005   0.00048   0.00053   1.94483
   A27        2.00702  -0.00010  -0.00004  -0.00057  -0.00061   2.00641
   A28        1.92062  -0.00002   0.00019  -0.00038  -0.00018   1.92043
   A29        1.97463   0.00000  -0.00027   0.00077   0.00049   1.97512
   A30        1.79128   0.00007   0.00035   0.00007   0.00042   1.79170
   A31        1.82389   0.00004   0.00006   0.00023   0.00029   1.82418
   A32        1.99030  -0.00008   0.00015  -0.00075  -0.00060   1.98970
   A33        1.96787  -0.00001  -0.00048   0.00005  -0.00043   1.96744
   A34        1.83233   0.00000  -0.00012  -0.00002  -0.00014   1.83219
   A35        1.94932  -0.00003  -0.00025  -0.00051  -0.00076   1.94856
   A36        1.94820   0.00005   0.00037   0.00086   0.00123   1.94943
   A37        1.93032  -0.00001  -0.00002  -0.00060  -0.00063   1.92970
   A38        1.95395   0.00000   0.00021   0.00039   0.00060   1.95455
   A39        1.85195  -0.00001  -0.00018  -0.00013  -0.00031   1.85164
   A40        1.96332  -0.00006  -0.00016  -0.00071  -0.00087   1.96246
   A41        1.92631   0.00003   0.00030   0.00019   0.00049   1.92680
   A42        1.91985  -0.00001  -0.00017  -0.00005  -0.00021   1.91964
   A43        1.92084   0.00001  -0.00007   0.00030   0.00022   1.92106
   A44        1.88242   0.00003   0.00008   0.00024   0.00032   1.88274
   A45        1.84700  -0.00001   0.00002   0.00008   0.00010   1.84710
   A46        1.85396  -0.00002  -0.00032   0.00004  -0.00028   1.85368
   A47        1.96748   0.00001  -0.00010  -0.00008  -0.00018   1.96730
   A48        1.87298   0.00001   0.00056   0.00022   0.00078   1.87375
   A49        1.97285   0.00001  -0.00011  -0.00009  -0.00020   1.97265
   A50        1.89963   0.00000  -0.00010  -0.00010  -0.00020   1.89944
   A51        1.89351  -0.00001   0.00010   0.00003   0.00013   1.89364
   A52        1.94055  -0.00013  -0.00036  -0.00087  -0.00123   1.93932
   A53        1.81590   0.00008   0.00036   0.00047   0.00083   1.81674
   A54        1.88104   0.00002   0.00002   0.00049   0.00051   1.88155
   A55        2.00730   0.00005  -0.00017  -0.00024  -0.00041   2.00689
   A56        1.90700   0.00001   0.00026   0.00025   0.00050   1.90750
   A57        1.90681  -0.00004  -0.00011  -0.00004  -0.00015   1.90666
   A58        1.88171   0.00004   0.00017   0.00038   0.00055   1.88226
   A59        1.96948  -0.00012  -0.00003  -0.00069  -0.00071   1.96877
   A60        1.91337   0.00002   0.00005  -0.00024  -0.00019   1.91318
   A61        1.87005   0.00005  -0.00014   0.00050   0.00036   1.87040
   A62        1.96066  -0.00003  -0.00015  -0.00011  -0.00026   1.96040
   A63        1.86963   0.00004   0.00008   0.00015   0.00024   1.86986
   A64        1.95555  -0.00005  -0.00021  -0.00050  -0.00071   1.95484
   A65        1.91273   0.00001   0.00014  -0.00002   0.00012   1.91285
   A66        1.92734   0.00004   0.00022   0.00006   0.00028   1.92762
   A67        1.91107   0.00002  -0.00004   0.00016   0.00012   1.91119
   A68        1.91135   0.00000  -0.00001   0.00014   0.00013   1.91147
   A69        1.84238  -0.00001  -0.00010   0.00021   0.00011   1.84249
   A70        1.97110  -0.00003  -0.00019   0.00023   0.00004   1.97114
   A71        1.95205  -0.00005  -0.00031  -0.00047  -0.00078   1.95128
   A72        1.93859  -0.00003   0.00022  -0.00010   0.00013   1.93871
   A73        1.87396   0.00002   0.00014  -0.00024  -0.00010   1.87387
   A74        1.88383   0.00006   0.00020   0.00039   0.00059   1.88442
   A75        1.83765   0.00003  -0.00005   0.00020   0.00016   1.83780
   A76        1.94096   0.00003  -0.00023  -0.00026  -0.00049   1.94048
   A77        1.92894  -0.00002  -0.00005  -0.00010  -0.00015   1.92879
   A78        1.90902  -0.00001   0.00013   0.00001   0.00014   1.90916
   A79        1.91259  -0.00001   0.00007   0.00006   0.00013   1.91272
   A80        1.93730  -0.00001   0.00013   0.00015   0.00028   1.93758
   A81        1.83221   0.00001  -0.00004   0.00017   0.00013   1.83234
   A82        2.01815  -0.00001  -0.00012  -0.00007  -0.00019   2.01796
   A83        2.14115   0.00005   0.00011   0.00021   0.00031   2.14146
   A84        2.12375  -0.00004   0.00001  -0.00014  -0.00013   2.12362
   A85        2.14033  -0.00018  -0.00033  -0.00054  -0.00087   2.13946
   A86        2.11457   0.00016   0.00012   0.00042   0.00054   2.11511
   A87        2.02814   0.00002   0.00020   0.00005   0.00025   2.02839
   A88        1.94165  -0.00007  -0.00005  -0.00041  -0.00047   1.94118
   A89        1.93915  -0.00005   0.00002  -0.00032  -0.00030   1.93885
   A90        1.96530   0.00013   0.00002   0.00065   0.00067   1.96597
   A91        1.86937   0.00006   0.00009   0.00035   0.00044   1.86981
   A92        1.87124  -0.00003  -0.00014   0.00005  -0.00009   1.87115
   A93        1.87250  -0.00004   0.00007  -0.00031  -0.00024   1.87226
   A94        1.95360  -0.00004  -0.00006  -0.00014  -0.00021   1.95340
   A95        1.96211  -0.00002   0.00014  -0.00030  -0.00016   1.96195
   A96        1.93447   0.00004   0.00013   0.00034   0.00047   1.93494
   A97        1.86172   0.00003   0.00011   0.00025   0.00036   1.86207
   A98        1.87886   0.00003   0.00002   0.00049   0.00051   1.87936
   A99        1.86832  -0.00004  -0.00036  -0.00062  -0.00098   1.86734
   A100       2.16331   0.00004   0.00003   0.00018   0.00021   2.16353
   A101       2.00997   0.00000   0.00012   0.00009   0.00021   2.01018
   A102       2.10972  -0.00004  -0.00015  -0.00027  -0.00042   2.10930
   A103       2.14864  -0.00006  -0.00007  -0.00031  -0.00038   2.14826
   A104       2.13979  -0.00001  -0.00012  -0.00013  -0.00025   2.13954
   A105       1.99467   0.00007   0.00020   0.00044   0.00064   1.99531
   A106       1.94668   0.00003   0.00010  -0.00024  -0.00014   1.94654
   A107       1.82680   0.00005  -0.00002   0.00070   0.00068   1.82749
   A108       1.90512  -0.00010  -0.00028  -0.00040  -0.00068   1.90444
   A109       1.96885  -0.00010  -0.00025  -0.00064  -0.00089   1.96796
   A110       1.92397   0.00008   0.00031   0.00047   0.00078   1.92474
   A111       1.88885   0.00003   0.00012   0.00011   0.00023   1.88908
   A112       2.13199  -0.00003  -0.00006  -0.00022  -0.00028   2.13171
   A113       2.14765  -0.00004  -0.00008  -0.00035  -0.00043   2.14721
   A114       2.00354   0.00007   0.00014   0.00057   0.00071   2.00425
   A115       2.14201  -0.00002  -0.00004  -0.00020  -0.00023   2.14178
   A116       2.12396   0.00000  -0.00003  -0.00001  -0.00005   2.12391
   A117       2.01722   0.00003   0.00007   0.00021   0.00028   2.01750
    D1       -1.34867  -0.00004   0.00820  -0.00521   0.00299  -1.34568
    D2        0.68414   0.00000   0.00823  -0.00469   0.00354   0.68768
    D3        2.80972   0.00003   0.00773  -0.00419   0.00355   2.81326
    D4       -1.23531   0.00005  -0.00123  -0.00179  -0.00302  -1.23833
    D5        2.87745   0.00001  -0.00105  -0.00130  -0.00235   2.87510
    D6        0.85426   0.00000  -0.00111  -0.00169  -0.00280   0.85145
    D7        0.51122   0.00007   0.00096   0.00299   0.00395   0.51517
    D8        2.64541   0.00000   0.00069   0.00253   0.00323   2.64864
    D9       -1.61902   0.00001   0.00069   0.00284   0.00353  -1.61550
   D10        3.03442  -0.00005   0.00098  -0.00040   0.00058   3.03500
   D11        0.78070  -0.00003   0.00130  -0.00022   0.00108   0.78178
   D12       -1.19135   0.00001   0.00172  -0.00006   0.00166  -1.18969
   D13       -1.14095  -0.00001   0.00115  -0.00009   0.00106  -1.13989
   D14        2.88852   0.00002   0.00147   0.00009   0.00155   2.89007
   D15        0.91647   0.00005   0.00189   0.00024   0.00213   0.91860
   D16        1.00896  -0.00006   0.00091  -0.00080   0.00010   1.00906
   D17       -1.24476  -0.00003   0.00123  -0.00063   0.00060  -1.24416
   D18        3.06638   0.00000   0.00165  -0.00047   0.00118   3.06756
   D19        1.45331   0.00001  -0.00080   0.00136   0.00055   1.45386
   D20       -0.67185   0.00000  -0.00062   0.00051  -0.00011  -0.67196
   D21       -2.82827   0.00003  -0.00015   0.00074   0.00059  -2.82768
   D22       -0.56538  -0.00003  -0.00112   0.00118   0.00007  -0.56531
   D23       -2.69054  -0.00004  -0.00093   0.00033  -0.00060  -2.69113
   D24        1.43623  -0.00001  -0.00046   0.00056   0.00010   1.43633
   D25       -2.73958  -0.00001  -0.00097   0.00137   0.00040  -2.73917
   D26        1.41845  -0.00002  -0.00078   0.00052  -0.00026   1.41819
   D27       -0.73797   0.00001  -0.00031   0.00075   0.00044  -0.73753
   D28        0.96495  -0.00001   0.00000   0.00061   0.00060   0.96556
   D29       -1.18778  -0.00002  -0.00002   0.00059   0.00057  -1.18721
   D30        3.06377  -0.00002  -0.00012   0.00041   0.00029   3.06406
   D31        2.89996  -0.00001  -0.00005   0.00076   0.00071   2.90067
   D32        0.74722  -0.00002  -0.00006   0.00074   0.00068   0.74791
   D33       -1.28441  -0.00002  -0.00017   0.00056   0.00040  -1.28401
   D34       -1.22223   0.00001   0.00011   0.00107   0.00117  -1.22106
   D35        2.90822   0.00000   0.00009   0.00105   0.00114   2.90936
   D36        0.87658   0.00000  -0.00001   0.00087   0.00086   0.87744
   D37        1.00838   0.00001   0.00321   0.00581   0.00902   1.01741
   D38        3.12472  -0.00001   0.00303   0.00532   0.00835   3.13307
   D39       -1.11089  -0.00002   0.00292   0.00521   0.00813  -1.10276
   D40       -0.92385   0.00005   0.00346   0.00566   0.00912  -0.91473
   D41        1.19248   0.00002   0.00328   0.00517   0.00845   1.20093
   D42       -3.04313   0.00001   0.00317   0.00506   0.00823  -3.03490
   D43        3.13747   0.00002   0.00334   0.00542   0.00876  -3.13695
   D44       -1.02938  -0.00001   0.00316   0.00493   0.00809  -1.02129
   D45        1.01820  -0.00002   0.00305   0.00482   0.00787   1.02607
   D46        1.08709  -0.00004  -0.00089   0.00009  -0.00080   1.08629
   D47       -3.04749  -0.00003  -0.00070   0.00014  -0.00056  -3.04806
   D48       -0.94802  -0.00002  -0.00078   0.00013  -0.00065  -0.94867
   D49       -3.08897  -0.00004  -0.00147   0.00001  -0.00146  -3.09043
   D50       -0.94037  -0.00003  -0.00128   0.00006  -0.00122  -0.94159
   D51        1.15911  -0.00001  -0.00136   0.00005  -0.00131   1.15780
   D52       -0.97567  -0.00002  -0.00115   0.00027  -0.00088  -0.97655
   D53        1.17293  -0.00001  -0.00096   0.00032  -0.00064   1.17229
   D54       -3.01078   0.00001  -0.00104   0.00031  -0.00073  -3.01151
   D55       -0.59130   0.00002  -0.00157  -0.00025  -0.00182  -0.59312
   D56        1.50127   0.00000  -0.00181  -0.00126  -0.00307   1.49820
   D57       -2.71177   0.00000  -0.00196  -0.00119  -0.00315  -2.71492
   D58       -2.75726   0.00004  -0.00140  -0.00021  -0.00161  -2.75886
   D59       -0.66469   0.00002  -0.00164  -0.00122  -0.00286  -0.66754
   D60        1.40545   0.00002  -0.00179  -0.00114  -0.00293   1.40252
   D61        1.40204  -0.00003  -0.00206  -0.00069  -0.00275   1.39929
   D62       -2.78857  -0.00006  -0.00230  -0.00170  -0.00400  -2.79257
   D63       -0.71843  -0.00006  -0.00245  -0.00163  -0.00408  -0.72251
   D64        1.11606   0.00006  -0.00040  -0.00050  -0.00091   1.11515
   D65       -0.87458   0.00000  -0.00043  -0.00115  -0.00158  -0.87616
   D66        3.11096   0.00009  -0.00018  -0.00043  -0.00061   3.11035
   D67       -1.02678  -0.00003  -0.00068  -0.00080  -0.00148  -1.02826
   D68       -3.01742  -0.00009  -0.00071  -0.00145  -0.00216  -3.01957
   D69        0.96812   0.00000  -0.00045  -0.00073  -0.00118   0.96694
   D70       -3.10724   0.00002  -0.00045  -0.00075  -0.00120  -3.10844
   D71        1.18531  -0.00004  -0.00048  -0.00140  -0.00188   1.18344
   D72       -1.11234   0.00004  -0.00022  -0.00068  -0.00090  -1.11324
   D73       -3.05258   0.00001  -0.00070  -0.00051  -0.00121  -3.05378
   D74        1.10555   0.00002  -0.00061  -0.00036  -0.00097   1.10459
   D75       -0.91685   0.00000  -0.00070  -0.00064  -0.00133  -0.91819
   D76       -0.93391   0.00001  -0.00040  -0.00064  -0.00104  -0.93494
   D77       -3.05896   0.00002  -0.00031  -0.00049  -0.00080  -3.05976
   D78        1.20182   0.00000  -0.00040  -0.00077  -0.00116   1.20065
   D79        1.12727  -0.00001  -0.00066  -0.00049  -0.00115   1.12612
   D80       -0.99779   0.00000  -0.00056  -0.00034  -0.00091  -0.99869
   D81       -3.02019  -0.00002  -0.00065  -0.00062  -0.00127  -3.02147
   D82        2.93843  -0.00006   0.00135   0.00197   0.00332   2.94175
   D83       -1.28694  -0.00001   0.00145   0.00177   0.00322  -1.28372
   D84        0.86437  -0.00001   0.00138   0.00174   0.00313   0.86750
   D85       -1.30567  -0.00001   0.00141   0.00231   0.00373  -1.30195
   D86        0.75214   0.00003   0.00151   0.00212   0.00362   0.75576
   D87        2.90345   0.00003   0.00144   0.00209   0.00353   2.90698
   D88        0.96078  -0.00003   0.00119   0.00209   0.00328   0.96405
   D89        3.01859   0.00001   0.00128   0.00189   0.00317   3.02176
   D90       -1.11328   0.00001   0.00122   0.00186   0.00308  -1.11021
   D91        1.08480   0.00002   0.00083   0.00162   0.00245   1.08725
   D92       -3.13676   0.00004   0.00075   0.00208   0.00283  -3.13393
   D93       -1.05457   0.00002   0.00087   0.00166   0.00254  -1.05203
   D94       -0.94844   0.00000   0.00061   0.00137   0.00197  -0.94647
   D95        1.11319   0.00001   0.00053   0.00182   0.00235   1.11554
   D96       -3.08780   0.00000   0.00065   0.00141   0.00206  -3.08575
   D97        3.05102   0.00001   0.00099   0.00200   0.00298   3.05400
   D98       -1.17054   0.00003   0.00091   0.00245   0.00336  -1.16718
   D99        0.91166   0.00001   0.00103   0.00204   0.00307   0.91472
   D100      -1.76127   0.00003  -0.00050  -0.00075  -0.00125  -1.76252
   D101       0.40843   0.00003  -0.00093  -0.00089  -0.00182   0.40661
   D102       2.49217   0.00003  -0.00050  -0.00075  -0.00126   2.49091
   D103       0.32793   0.00003  -0.00038  -0.00064  -0.00102   0.32691
   D104       2.49763   0.00002  -0.00080  -0.00078  -0.00159   2.49604
   D105      -1.70182   0.00003  -0.00038  -0.00065  -0.00103  -1.70284
   D106       2.49876  -0.00005  -0.00044  -0.00138  -0.00182   2.49693
   D107      -1.61473  -0.00005  -0.00087  -0.00152  -0.00239  -1.61712
   D108       0.46901  -0.00005  -0.00044  -0.00139  -0.00183   0.46718
   D109      -2.62669   0.00000  -0.00130   0.00038  -0.00092  -2.62762
   D110       0.49655  -0.00006  -0.00208  -0.00334  -0.00542   0.49113
   D111       1.57987   0.00002  -0.00183   0.00116  -0.00066   1.57920
   D112      -1.58008  -0.00003  -0.00261  -0.00255  -0.00516  -1.58524
   D113      -0.49652   0.00003  -0.00165   0.00137  -0.00029  -0.49681
   D114       2.62672  -0.00002  -0.00243  -0.00235  -0.00478   2.62193
   D115       0.15782  -0.00003   0.00126   0.00057   0.00183   0.15965
   D116      -2.00854  -0.00003   0.00168   0.00070   0.00238  -2.00616
   D117       2.16955  -0.00003   0.00170   0.00080   0.00249   2.17204
   D118      -1.94734   0.00000   0.00165   0.00151   0.00316  -1.94418
   D119       2.16948   0.00001   0.00207   0.00164   0.00371   2.17319
   D120       0.06439   0.00001   0.00208   0.00174   0.00382   0.06821
   D121       2.27452   0.00003   0.00175   0.00182   0.00357   2.27809
   D122       0.10816   0.00003   0.00217   0.00195   0.00413   0.11228
   D123      -1.99693   0.00003   0.00219   0.00204   0.00424  -1.99270
   D124       1.32727  -0.00006  -0.00152  -0.00264  -0.00416   1.32311
   D125      -0.79949   0.00001  -0.00123  -0.00175  -0.00297  -0.80246
   D126      -2.95090  -0.00001  -0.00136  -0.00187  -0.00322  -2.95412
   D127      -2.80012  -0.00005  -0.00130  -0.00268  -0.00398  -2.80410
   D128       1.35630   0.00002  -0.00101  -0.00178  -0.00279   1.35351
   D129      -0.79511   0.00000  -0.00114  -0.00190  -0.00304  -0.79815
   D130      -0.79302  -0.00004  -0.00127  -0.00230  -0.00357  -0.79659
   D131      -2.91978   0.00003  -0.00097  -0.00141  -0.00238  -2.92216
   D132       1.21199   0.00001  -0.00110  -0.00153  -0.00263   1.20936
   D133       0.95383   0.00001   0.00149  -0.00139   0.00011   0.95394
   D134       3.03487   0.00001   0.00158  -0.00143   0.00015   3.03503
   D135      -1.14732   0.00001   0.00170  -0.00161   0.00009  -1.14722
   D136       3.05665  -0.00001   0.00092  -0.00146  -0.00054   3.05612
   D137      -1.14549  -0.00001   0.00101  -0.00151  -0.00049  -1.14598
   D138       0.95551  -0.00001   0.00113  -0.00169  -0.00055   0.95495
   D139      -1.11796  -0.00001   0.00080  -0.00163  -0.00083  -1.11879
   D140       0.96308   0.00000   0.00089  -0.00168  -0.00079   0.96229
   D141       3.06408   0.00000   0.00101  -0.00186  -0.00085   3.06323
   D142       0.96963  -0.00003   0.00001  -0.00068  -0.00067   0.96896
   D143      -2.19008  -0.00004  -0.00030  -0.00042  -0.00072  -2.19081
   D144      -1.15488   0.00006   0.00002  -0.00036  -0.00034  -1.15522
   D145       1.96858   0.00005  -0.00029  -0.00009  -0.00039   1.96820
   D146       3.07967   0.00000   0.00009  -0.00079  -0.00070   3.07897
   D147      -0.08005  -0.00001  -0.00022  -0.00053  -0.00075  -0.08080
   D148      -0.89092   0.00001   0.00345   0.00536   0.00881  -0.88211
   D149       1.20421   0.00000   0.00365   0.00537   0.00902   1.21323
   D150      -2.98878  -0.00003   0.00338   0.00461   0.00799  -2.98080
   D151       1.17753   0.00002   0.00356   0.00575   0.00931   1.18684
   D152      -3.01053   0.00001   0.00376   0.00576   0.00951  -3.00102
   D153      -0.92034  -0.00002   0.00349   0.00500   0.00848  -0.91186
   D154      -2.99826   0.00003   0.00335   0.00597   0.00933  -2.98893
   D155      -0.90313   0.00002   0.00355   0.00598   0.00953  -0.89360
   D156       1.18706  -0.00001   0.00328   0.00522   0.00850   1.19556
   D157       2.16743   0.00005   0.00051   0.00088   0.00139   2.16882
   D158      -0.99467   0.00005   0.00060   0.00107   0.00167  -0.99300
   D159       0.07571   0.00001   0.00035   0.00063   0.00099   0.07669
   D160      -3.08640   0.00000   0.00044   0.00083   0.00127  -3.08513
   D161      -1.97317  -0.00006   0.00056  -0.00001   0.00055  -1.97262
   D162       1.14791  -0.00006   0.00065   0.00019   0.00083   1.14874
   D163       0.90805   0.00001   0.00097   0.00150   0.00247   0.91052
   D164      -1.22032   0.00001   0.00107   0.00167   0.00274  -1.21758
   D165       3.05401   0.00002   0.00108   0.00151   0.00259   3.05660
   D166       3.03406   0.00000   0.00098   0.00124   0.00223   3.03629
   D167       0.90569   0.00000   0.00109   0.00141   0.00250   0.90819
   D168      -1.10316   0.00001   0.00109   0.00126   0.00235  -1.10081
   D169      -1.23675   0.00000   0.00084   0.00166   0.00250  -1.23425
   D170       2.91807   0.00000   0.00094   0.00183   0.00277   2.92084
   D171       0.90921   0.00001   0.00094   0.00168   0.00262   0.91183
   D172      -0.96091   0.00000  -0.00077  -0.00085  -0.00162  -0.96253
   D173       2.19861   0.00001  -0.00047  -0.00111  -0.00158   2.19703
   D174       1.17693  -0.00001  -0.00094  -0.00111  -0.00205   1.17488
   D175      -1.94674   0.00000  -0.00064  -0.00137  -0.00201  -1.94875
   D176      -3.09054   0.00000  -0.00087  -0.00078  -0.00166  -3.09220
   D177       0.06898   0.00001  -0.00057  -0.00105  -0.00161   0.06737
   D178       0.02898   0.00001  -0.00068   0.00019  -0.00050   0.02848
   D179      -3.12790   0.00000  -0.00010  -0.00018  -0.00028  -3.12818
   D180      -3.13182   0.00000  -0.00101   0.00047  -0.00055  -3.13237
   D181      -0.00551   0.00000  -0.00043   0.00010  -0.00033  -0.00584
   D182      -0.25906  -0.00001  -0.00011   0.00035   0.00024  -0.25882
   D183      -2.30928  -0.00003   0.00001   0.00004   0.00006  -2.30922
   D184       1.86028  -0.00005  -0.00019   0.00000  -0.00019   1.86009
   D185       2.90059   0.00005   0.00066   0.00402   0.00468   2.90527
   D186       0.85037   0.00003   0.00079   0.00371   0.00450   0.85487
   D187      -1.26325   0.00000   0.00058   0.00367   0.00425  -1.25900
   D188      -0.01950  -0.00001   0.00041  -0.00038   0.00002  -0.01947
   D189       3.12611   0.00000   0.00005   0.00017   0.00022   3.12633
   D190      -3.13945  -0.00001   0.00031  -0.00059  -0.00028  -3.13974
   D191       0.00616   0.00000  -0.00005  -0.00004  -0.00009   0.00607
   D192      -3.10949   0.00004  -0.00001   0.00355   0.00354  -3.10595
   D193       0.03326  -0.00001   0.00141   0.00013   0.00154   0.03480
   D194       0.04623   0.00004  -0.00054   0.00389   0.00335   0.04958
   D195      -3.09420  -0.00001   0.00087   0.00048   0.00135  -3.09286
   D196       3.10438  -0.00004   0.00014  -0.00341  -0.00328   3.10110
   D197      -0.03837   0.00001  -0.00126  -0.00004  -0.00130  -0.03966
   D198      -0.04092  -0.00005   0.00046  -0.00392  -0.00346  -0.04438
   D199       3.09952   0.00000  -0.00093  -0.00055  -0.00148   3.09804
         Item               Value     Threshold  Converged?
 Maximum Force            0.000366     0.000450     YES
 RMS     Force            0.000055     0.000300     YES
 Maximum Displacement     0.020216     0.001800     NO 
 RMS     Displacement     0.003749     0.001200     NO 
 Predicted change in Energy=-4.404301D-06
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C22H29FO5
 Framework group  C1[X(C22H29FO5)]
 Deg. of freedom   165
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          9           0        1.537654    0.050465   -1.389048
      2          8           0       -3.016799    0.238772   -1.811301
      3          8           0        0.336499   -2.203026    1.140122
      4          8           0       -4.881381   -0.141294    1.039873
      5          8           0       -5.573758   -2.430623   -0.212471
      6          8           0        6.479861   -0.152637   -1.409952
      7          6           0       -1.651946   -0.133581    0.207613
      8          6           0       -0.751399    1.121218   -0.012660
      9          6           0        0.628459    0.925090    0.627836
     10          6           0        1.331846   -0.277770   -0.064885
     11          6           0       -3.008269    0.396550   -0.384740
     12          6           0       -1.626428    2.297424    0.450949
     13          6           0       -1.026490   -1.312320   -0.550134
     14          6           0       -3.076752    1.893322    0.069876
     15          6           0        0.435767   -1.563113   -0.142446
     16          6           0        2.776817   -0.509614    0.513388
     17          6           0        1.470922    2.206436    0.529016
     18          6           0       -1.860090   -0.497773    1.678977
     19          6           0        2.896583    1.997946    1.051075
     20          6           0        3.545183    0.809648    0.399033
     21          6           0       -4.239393   -0.413052    0.050885
     22          6           0       -3.689561    2.801298   -0.987107
     23          6           0        2.767805   -0.902708    2.002108
     24          6           0        3.453589   -1.638586   -0.243283
     25          6           0        4.729964    0.906294   -0.220839
     26          6           0       -4.634759   -1.568798   -0.849628
     27          6           0        4.630571   -1.521768   -0.860066
     28          6           0        5.390733   -0.239177   -0.882035
     29          1           0       -0.600112    1.253220   -1.116478
     30          1           0        0.501205    0.655473    1.707906
     31          1           0       -1.543277    2.462482    1.538287
     32          1           0       -1.323078    3.243248   -0.025547
     33          1           0       -1.093444   -1.147328   -1.644997
     34          1           0       -1.601155   -2.241760   -0.347912
     35          1           0       -3.717498    1.934744    0.989372
     36          1           0        0.896491   -2.292044   -0.853277
     37          1           0        0.981937    3.017719    1.102932
     38          1           0        1.509091    2.565110   -0.519955
     39          1           0       -2.309637    0.313553    2.259698
     40          1           0       -2.504659   -1.378836    1.793591
     41          1           0       -0.906291   -0.770973    2.158404
     42          1           0        2.891298    1.861163    2.153369
     43          1           0        3.490741    2.920279    0.879008
     44          1           0       -4.679306    2.439171   -1.297021
     45          1           0       -3.823979    3.820030   -0.602572
     46          1           0       -3.073102    2.873144   -1.890425
     47          1           0        2.160511   -0.214171    2.604176
     48          1           0        2.359585   -1.910990    2.167257
     49          1           0        3.786242   -0.897121    2.414497
     50          1           0       -2.471184    0.935372   -2.238766
     51          1           0        2.915814   -2.588253   -0.238871
     52          1           0        1.190639   -2.627184    1.391018
     53          1           0        5.281986    1.845309   -0.290700
     54          1           0       -3.779074   -2.225055   -1.105505
     55          1           0       -5.075189   -1.186683   -1.795911
     56          1           0        5.109980   -2.347924   -1.388292
     57          1           0       -6.127707   -1.917199    0.430394
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.4209134      0.1031793      0.0948098
 Standard basis: VSTO-6G (5D, 7F)
 There are   141 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   141 basis functions,   846 primitive gaussians,   141 cartesian basis functions
    77 alpha electrons       77 beta electrons
       nuclear repulsion energy      1659.9035676404 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   141 RedAO= F  NBF=   141
 NBsUse=   141 1.00D-04 NBFU=   141
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=982442.
 SCF Done:  E(RPM6) = -0.418002782264     A.U. after   11 cycles
             Convg  =    0.6606D-08             -V/T =  0.9987
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        9           0.000009778    0.000011213    0.000011972
      2        8           0.000045762   -0.000020697    0.000029616
      3        8           0.000171815    0.000132508    0.000003111
      4        8           0.000107837    0.000009975   -0.000034275
      5        8          -0.000134265   -0.000097279   -0.000196806
      6        8          -0.000032151   -0.000000330   -0.000013722
      7        6           0.000064311    0.000059689   -0.000059067
      8        6          -0.000008206   -0.000037482   -0.000062765
      9        6          -0.000034400   -0.000039021    0.000038534
     10        6          -0.000083935    0.000019023   -0.000013089
     11        6          -0.000025197    0.000007975   -0.000015806
     12        6           0.000095848   -0.000047591    0.000202940
     13        6           0.000004692    0.000003323    0.000050262
     14        6           0.000004488   -0.000054963   -0.000045856
     15        6           0.000008342   -0.000100560   -0.000037415
     16        6           0.000134677    0.000047627   -0.000000715
     17        6           0.000067956   -0.000017583    0.000011049
     18        6          -0.000019858   -0.000082397   -0.000007368
     19        6          -0.000029885    0.000025679    0.000018947
     20        6          -0.000008810    0.000032217   -0.000002314
     21        6          -0.000262524   -0.000047933   -0.000053893
     22        6           0.000056716   -0.000014629    0.000053541
     23        6           0.000013766   -0.000073337   -0.000016604
     24        6           0.000026677   -0.000063370    0.000007696
     25        6          -0.000021461   -0.000040600    0.000004898
     26        6           0.000085174    0.000003949    0.000107104
     27        6          -0.000034497    0.000002984    0.000010106
     28        6           0.000079135    0.000015640   -0.000024783
     29        1          -0.000019416    0.000012740    0.000042660
     30        1           0.000012097    0.000015172   -0.000051291
     31        1           0.000000418   -0.000014820   -0.000107208
     32        1          -0.000046998    0.000096275   -0.000067171
     33        1          -0.000009606    0.000002538   -0.000030420
     34        1          -0.000003538    0.000034805    0.000005774
     35        1          -0.000003384    0.000014049    0.000012371
     36        1           0.000031452    0.000035517    0.000023856
     37        1          -0.000013840   -0.000006842   -0.000009403
     38        1          -0.000001224    0.000004355   -0.000020210
     39        1          -0.000015150    0.000017266    0.000029545
     40        1          -0.000026511    0.000008564   -0.000006025
     41        1          -0.000013394   -0.000005971    0.000016176
     42        1           0.000003079    0.000002112   -0.000015927
     43        1           0.000011591   -0.000019291    0.000011885
     44        1          -0.000026146    0.000032564    0.000025025
     45        1           0.000017412   -0.000017926   -0.000003002
     46        1          -0.000052741   -0.000021935   -0.000031513
     47        1          -0.000024700   -0.000014559    0.000015829
     48        1           0.000025398    0.000018555   -0.000008716
     49        1          -0.000014203    0.000025464    0.000019504
     50        1           0.000004136   -0.000027316    0.000050325
     51        1          -0.000027931    0.000032481   -0.000014068
     52        1          -0.000159233   -0.000044871    0.000020625
     53        1          -0.000009000    0.000013991    0.000007162
     54        1           0.000011332    0.000041258   -0.000016919
     55        1          -0.000014085   -0.000029072   -0.000001782
     56        1          -0.000011828   -0.000006661    0.000006569
     57        1           0.000094227    0.000167527    0.000131054
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000262524 RMS     0.000055829

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.000225519 RMS     0.000030220
 Search for a local minimum.
 Step number  24 out of a maximum of  342
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   19   20   21   22   23
                                                     24
 DE= -3.59D-06 DEPred=-4.40D-06 R= 8.16D-01
 SS=  1.41D+00  RLast= 4.80D-02 DXNew= 3.1318D+00 1.4399D-01
 Trust test= 8.16D-01 RLast= 4.80D-02 DXMaxT set to 1.86D+00
     Eigenvalues ---    0.00083   0.00167   0.00210   0.00254   0.00278
     Eigenvalues ---    0.00352   0.00411   0.00492   0.00517   0.00597
     Eigenvalues ---    0.00668   0.00710   0.00830   0.01220   0.01334
     Eigenvalues ---    0.01400   0.01452   0.01526   0.01685   0.01763
     Eigenvalues ---    0.02085   0.02103   0.02226   0.02342   0.02553
     Eigenvalues ---    0.03053   0.03363   0.03685   0.03761   0.03821
     Eigenvalues ---    0.03975   0.04096   0.04269   0.04415   0.04579
     Eigenvalues ---    0.04631   0.04749   0.04849   0.04965   0.05027
     Eigenvalues ---    0.05034   0.05158   0.05220   0.05290   0.05345
     Eigenvalues ---    0.05357   0.05421   0.05523   0.05542   0.05633
     Eigenvalues ---    0.05788   0.05928   0.06132   0.06283   0.06801
     Eigenvalues ---    0.06893   0.07003   0.07124   0.07170   0.07359
     Eigenvalues ---    0.07692   0.08002   0.08193   0.08292   0.08346
     Eigenvalues ---    0.08369   0.09113   0.09260   0.09337   0.10712
     Eigenvalues ---    0.11228   0.11750   0.11977   0.12952   0.13391
     Eigenvalues ---    0.13901   0.14500   0.14908   0.15138   0.15630
     Eigenvalues ---    0.15726   0.15908   0.15938   0.15998   0.16003
     Eigenvalues ---    0.16006   0.16014   0.16020   0.16034   0.16059
     Eigenvalues ---    0.16202   0.16351   0.16796   0.17025   0.17794
     Eigenvalues ---    0.18840   0.19222   0.19441   0.19979   0.21277
     Eigenvalues ---    0.21416   0.22382   0.22915   0.23576   0.23780
     Eigenvalues ---    0.24933   0.25172   0.25285   0.26080   0.26531
     Eigenvalues ---    0.26595   0.27624   0.27787   0.27902   0.28431
     Eigenvalues ---    0.28861   0.29226   0.29572   0.30012   0.30323
     Eigenvalues ---    0.31035   0.31786   0.32200   0.32576   0.32867
     Eigenvalues ---    0.33490   0.33620   0.33798   0.33882   0.33965
     Eigenvalues ---    0.34000   0.34065   0.34077   0.34098   0.34123
     Eigenvalues ---    0.34167   0.34217   0.34227   0.34271   0.34296
     Eigenvalues ---    0.34318   0.34354   0.34385   0.34389   0.34545
     Eigenvalues ---    0.34629   0.34755   0.34990   0.35113   0.35385
     Eigenvalues ---    0.35498   0.35649   0.38755   0.42453   0.44518
     Eigenvalues ---    0.46326   0.48264   0.49071   0.51987   0.53499
     Eigenvalues ---    0.53950   0.56888   0.58274   0.88703   0.92273
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    24   23   22   21   20
 RFO step:  Lambda=-8.32329159D-07.
 DIIS coeffs:      0.75648      0.42974     -0.15680     -0.11821      0.08879
 Iteration  1 RMS(Cart)=  0.00229274 RMS(Int)=  0.00000541
 Iteration  2 RMS(Cart)=  0.00000679 RMS(Int)=  0.00000217
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000217
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.60721   0.00001   0.00003   0.00000   0.00003   2.60724
    R2        2.71230   0.00007  -0.00020   0.00019  -0.00002   2.71228
    R3        1.85701   0.00004   0.00000   0.00009   0.00009   1.85710
    R4        2.71511   0.00001   0.00002   0.00005   0.00007   2.71518
    R5        1.86348  -0.00016  -0.00009  -0.00004  -0.00013   1.86335
    R6        2.28657  -0.00003  -0.00012  -0.00009  -0.00022   2.28635
    R7        2.69273   0.00010  -0.00003   0.00012   0.00008   2.69281
    R8        1.87430  -0.00023  -0.00009  -0.00033  -0.00042   1.87388
    R9        2.29303  -0.00003  -0.00001  -0.00002  -0.00004   2.29299
   R10        2.94823   0.00002   0.00013   0.00002   0.00015   2.94838
   R11        2.97086   0.00005   0.00017   0.00000   0.00017   2.97103
   R12        2.89985   0.00007   0.00003   0.00010   0.00013   2.89998
   R13        2.89126  -0.00003   0.00003  -0.00019  -0.00016   2.89110
   R14        2.89857   0.00004  -0.00015   0.00029   0.00015   2.89871
   R15        2.90555  -0.00002   0.00004  -0.00021  -0.00017   2.90538
   R16        2.12014   0.00004   0.00009   0.00005   0.00014   2.12028
   R17        2.94063   0.00004  -0.00012   0.00027   0.00016   2.94078
   R18        2.90389   0.00003  -0.00001   0.00017   0.00016   2.90404
   R19        2.11737   0.00005   0.00003   0.00018   0.00021   2.11758
   R20        2.96457   0.00001  -0.00005   0.00001  -0.00004   2.96453
   R21        2.97360   0.00009   0.00028  -0.00001   0.00026   2.97386
   R22        2.95891   0.00003   0.00037  -0.00010   0.00026   2.95917
   R23        2.90360   0.00013   0.00034   0.00019   0.00053   2.90413
   R24        2.93483   0.00003   0.00005  -0.00005   0.00000   2.93484
   R25        2.08424   0.00011   0.00006   0.00037   0.00043   2.08467
   R26        2.08183  -0.00013  -0.00012  -0.00044  -0.00056   2.08128
   R27        2.90754   0.00005  -0.00015   0.00017   0.00002   2.90756
   R28        2.09617  -0.00003  -0.00001  -0.00009  -0.00010   2.09607
   R29        2.10006   0.00003  -0.00005   0.00008   0.00004   2.10009
   R30        2.87659   0.00005   0.00006   0.00001   0.00007   2.87666
   R31        2.11931  -0.00001  -0.00001  -0.00017  -0.00018   2.11913
   R32        2.11184   0.00005   0.00010   0.00015   0.00024   2.11208
   R33        2.89314  -0.00003   0.00002  -0.00012  -0.00010   2.89304
   R34        2.90974  -0.00002   0.00004  -0.00006  -0.00002   2.90972
   R35        2.86912  -0.00004  -0.00004  -0.00013  -0.00016   2.86895
   R36        2.89599  -0.00002  -0.00003  -0.00003  -0.00006   2.89592
   R37        2.09297   0.00002   0.00001   0.00004   0.00005   2.09302
   R38        2.09619  -0.00002   0.00002  -0.00006  -0.00004   2.09615
   R39        2.06800  -0.00002   0.00001  -0.00006  -0.00005   2.06795
   R40        2.07429   0.00002   0.00000   0.00010   0.00010   2.07439
   R41        2.08232  -0.00002   0.00002  -0.00011  -0.00009   2.08223
   R42        2.83956  -0.00001  -0.00006   0.00009   0.00002   2.83958
   R43        2.09903   0.00002   0.00006   0.00004   0.00010   2.09913
   R44        2.09864   0.00002   0.00004   0.00006   0.00010   2.09874
   R45        2.53342  -0.00001  -0.00006   0.00006   0.00000   2.53343
   R46        2.86777   0.00007   0.00035  -0.00016   0.00019   2.86796
   R47        2.07593   0.00004  -0.00002   0.00015   0.00013   2.07606
   R48        2.07332   0.00002  -0.00003   0.00005   0.00002   2.07334
   R49        2.07110  -0.00006  -0.00005  -0.00020  -0.00024   2.07085
   R50        2.07472   0.00002  -0.00001   0.00005   0.00005   2.07477
   R51        2.07917   0.00001   0.00001   0.00006   0.00007   2.07924
   R52        2.07639  -0.00002  -0.00003  -0.00007  -0.00009   2.07629
   R53        2.52075  -0.00002  -0.00004   0.00000  -0.00004   2.52072
   R54        2.06239   0.00004  -0.00001   0.00014   0.00012   2.06251
   R55        2.79392   0.00001  -0.00006   0.00011   0.00005   2.79397
   R56        2.06262  -0.00002   0.00002  -0.00003  -0.00001   2.06262
   R57        2.09439   0.00003   0.00013   0.00013   0.00026   2.09466
   R58        2.10044   0.00001   0.00007  -0.00011  -0.00004   2.10040
   R59        2.81777   0.00001   0.00001   0.00006   0.00007   2.81783
   R60        2.06265  -0.00001  -0.00001  -0.00001  -0.00003   2.06262
    A1        1.92957   0.00006  -0.00064   0.00096   0.00032   1.92990
    A2        1.93783   0.00007   0.00034   0.00009   0.00042   1.93826
    A3        1.92280   0.00010   0.00010   0.00045   0.00055   1.92335
    A4        1.74526   0.00001  -0.00015   0.00017   0.00003   1.74529
    A5        1.88896  -0.00003   0.00009  -0.00001   0.00008   1.88904
    A6        1.98860   0.00001  -0.00005  -0.00009  -0.00014   1.98846
    A7        2.00933   0.00002   0.00001   0.00006   0.00007   2.00939
    A8        1.90207  -0.00007   0.00009  -0.00051  -0.00042   1.90165
    A9        1.92568   0.00005  -0.00001   0.00035   0.00035   1.92602
   A10        1.93636   0.00002   0.00006   0.00001   0.00007   1.93643
   A11        1.81749  -0.00001  -0.00004  -0.00011  -0.00015   1.81733
   A12        1.88744  -0.00002  -0.00021  -0.00025  -0.00046   1.88697
   A13        2.07587   0.00000  -0.00016   0.00007  -0.00010   2.07577
   A14        1.88028   0.00000   0.00026   0.00027   0.00053   1.88081
   A15        1.85813   0.00001   0.00007  -0.00003   0.00004   1.85816
   A16        1.89609   0.00000  -0.00007   0.00017   0.00011   1.89619
   A17        1.93877   0.00001  -0.00013   0.00043   0.00029   1.93906
   A18        1.90828   0.00001   0.00013  -0.00005   0.00008   1.90836
   A19        1.94778  -0.00001  -0.00005  -0.00011  -0.00016   1.94762
   A20        1.86967   0.00000   0.00009  -0.00033  -0.00025   1.86942
   A21        1.90171  -0.00001   0.00006  -0.00015  -0.00009   1.90162
   A22        1.88681   0.00001  -0.00009   0.00018   0.00009   1.88690
   A23        1.80563  -0.00003  -0.00031   0.00012  -0.00020   1.80543
   A24        1.82428  -0.00001   0.00012  -0.00035  -0.00023   1.82405
   A25        1.97921   0.00002   0.00029   0.00008   0.00037   1.97958
   A26        1.94483  -0.00002  -0.00022   0.00014  -0.00007   1.94476
   A27        2.00641   0.00003   0.00017  -0.00019  -0.00002   2.00639
   A28        1.92043   0.00002   0.00003  -0.00003   0.00001   1.92044
   A29        1.97512  -0.00004  -0.00030   0.00020  -0.00010   1.97503
   A30        1.79170   0.00004   0.00027   0.00053   0.00080   1.79250
   A31        1.82418  -0.00001  -0.00002   0.00002   0.00001   1.82419
   A32        1.98970  -0.00006   0.00001  -0.00075  -0.00074   1.98896
   A33        1.96744   0.00004  -0.00001   0.00000  -0.00001   1.96743
   A34        1.83219   0.00003   0.00009   0.00006   0.00016   1.83235
   A35        1.94856  -0.00002  -0.00011  -0.00019  -0.00030   1.94825
   A36        1.94943   0.00001   0.00015   0.00034   0.00048   1.94991
   A37        1.92970  -0.00002   0.00001  -0.00020  -0.00019   1.92951
   A38        1.95455  -0.00002   0.00006  -0.00001   0.00004   1.95460
   A39        1.85164   0.00001  -0.00020   0.00000  -0.00020   1.85144
   A40        1.96246   0.00002   0.00016  -0.00002   0.00014   1.96260
   A41        1.92680  -0.00002  -0.00002  -0.00023  -0.00025   1.92655
   A42        1.91964   0.00002  -0.00007   0.00018   0.00010   1.91974
   A43        1.92106   0.00000  -0.00001   0.00014   0.00012   1.92119
   A44        1.88274  -0.00002  -0.00008   0.00008   0.00000   1.88274
   A45        1.84710   0.00000   0.00001  -0.00014  -0.00013   1.84697
   A46        1.85368  -0.00002  -0.00017   0.00004  -0.00013   1.85356
   A47        1.96730   0.00001   0.00001  -0.00006  -0.00006   1.96724
   A48        1.87375   0.00000   0.00015  -0.00026  -0.00010   1.87365
   A49        1.97265   0.00001   0.00002  -0.00001   0.00000   1.97265
   A50        1.89944   0.00000   0.00003   0.00020   0.00023   1.89967
   A51        1.89364   0.00000  -0.00002   0.00007   0.00005   1.89369
   A52        1.93932   0.00007   0.00021   0.00000   0.00021   1.93953
   A53        1.81674  -0.00003  -0.00003   0.00014   0.00011   1.81685
   A54        1.88155  -0.00003  -0.00030  -0.00006  -0.00035   1.88120
   A55        2.00689  -0.00002   0.00021  -0.00001   0.00020   2.00709
   A56        1.90750  -0.00002  -0.00002  -0.00016  -0.00018   1.90732
   A57        1.90666   0.00002  -0.00011   0.00010  -0.00001   1.90665
   A58        1.88226   0.00001  -0.00004  -0.00002  -0.00005   1.88221
   A59        1.96877   0.00000   0.00002  -0.00030  -0.00027   1.96849
   A60        1.91318  -0.00001   0.00014  -0.00017  -0.00003   1.91315
   A61        1.87040  -0.00002  -0.00011   0.00008  -0.00003   1.87037
   A62        1.96040   0.00000  -0.00002   0.00007   0.00005   1.96045
   A63        1.86986   0.00002  -0.00001   0.00034   0.00033   1.87020
   A64        1.95484   0.00001   0.00014  -0.00011   0.00003   1.95487
   A65        1.91285  -0.00001  -0.00008   0.00004  -0.00004   1.91281
   A66        1.92762   0.00000   0.00002   0.00003   0.00005   1.92767
   A67        1.91119   0.00000   0.00004   0.00002   0.00006   1.91125
   A68        1.91147  -0.00001  -0.00004   0.00002  -0.00002   1.91145
   A69        1.84249   0.00000  -0.00009   0.00001  -0.00009   1.84240
   A70        1.97114  -0.00003  -0.00009  -0.00011  -0.00020   1.97094
   A71        1.95128   0.00001  -0.00002  -0.00005  -0.00007   1.95121
   A72        1.93871   0.00000   0.00013  -0.00010   0.00003   1.93874
   A73        1.87387   0.00000   0.00008  -0.00012  -0.00004   1.87383
   A74        1.88442   0.00002   0.00008   0.00028   0.00036   1.88477
   A75        1.83780   0.00001  -0.00019   0.00013  -0.00005   1.83775
   A76        1.94048   0.00001   0.00012   0.00008   0.00020   1.94067
   A77        1.92879   0.00000   0.00003  -0.00008  -0.00005   1.92873
   A78        1.90916  -0.00001  -0.00005   0.00003  -0.00002   1.90914
   A79        1.91272  -0.00001  -0.00001  -0.00005  -0.00006   1.91266
   A80        1.93758   0.00000  -0.00005   0.00006   0.00001   1.93759
   A81        1.83234   0.00000  -0.00005  -0.00004  -0.00009   1.83225
   A82        2.01796   0.00000  -0.00002   0.00001  -0.00001   2.01794
   A83        2.14146   0.00001   0.00002  -0.00004  -0.00002   2.14144
   A84        2.12362  -0.00001   0.00000   0.00003   0.00002   2.12364
   A85        2.13946  -0.00004  -0.00016  -0.00015  -0.00030   2.13915
   A86        2.11511   0.00010   0.00019   0.00054   0.00073   2.11584
   A87        2.02839  -0.00005  -0.00001  -0.00036  -0.00037   2.02802
   A88        1.94118  -0.00001  -0.00009  -0.00002  -0.00012   1.94106
   A89        1.93885  -0.00001   0.00003  -0.00016  -0.00013   1.93872
   A90        1.96597   0.00005   0.00017   0.00029   0.00045   1.96642
   A91        1.86981   0.00002   0.00005   0.00021   0.00025   1.87006
   A92        1.87115  -0.00002  -0.00021  -0.00008  -0.00029   1.87086
   A93        1.87226  -0.00002   0.00005  -0.00023  -0.00018   1.87208
   A94        1.95340  -0.00003   0.00000  -0.00015  -0.00015   1.95325
   A95        1.96195   0.00002   0.00014  -0.00016  -0.00002   1.96193
   A96        1.93494  -0.00001  -0.00005   0.00008   0.00003   1.93497
   A97        1.86207   0.00001  -0.00011   0.00013   0.00003   1.86210
   A98        1.87936   0.00003   0.00002   0.00040   0.00042   1.87978
   A99        1.86734  -0.00002  -0.00001  -0.00028  -0.00029   1.86706
   A100       2.16353   0.00001  -0.00001  -0.00003  -0.00004   2.16349
   A101       2.01018  -0.00002  -0.00001  -0.00011  -0.00012   2.01006
   A102       2.10930   0.00001   0.00002   0.00014   0.00016   2.10946
   A103       2.14826  -0.00001   0.00001  -0.00003  -0.00002   2.14823
   A104       2.13954   0.00001  -0.00003   0.00002  -0.00001   2.13952
   A105       1.99531   0.00000   0.00003   0.00001   0.00004   1.99535
   A106       1.94654   0.00005   0.00018   0.00006   0.00024   1.94678
   A107       1.82749  -0.00006  -0.00030  -0.00008  -0.00038   1.82711
   A108       1.90444   0.00001  -0.00015   0.00009  -0.00006   1.90438
   A109       1.96796   0.00000  -0.00005  -0.00025  -0.00031   1.96766
   A110       1.92474  -0.00003   0.00007  -0.00004   0.00004   1.92478
   A111       1.88908   0.00002   0.00023   0.00023   0.00046   1.88954
   A112       2.13171   0.00000   0.00003  -0.00001   0.00002   2.13173
   A113       2.14721   0.00000   0.00001  -0.00001   0.00000   2.14721
   A114       2.00425   0.00000  -0.00004   0.00003  -0.00002   2.00424
   A115       2.14178   0.00001   0.00005   0.00003   0.00008   2.14186
   A116       2.12391   0.00001  -0.00002   0.00003   0.00001   2.12391
   A117       2.01750  -0.00002  -0.00003  -0.00006  -0.00009   2.01741
    D1       -1.34568  -0.00002   0.00279  -0.00487  -0.00208  -1.34777
    D2        0.68768  -0.00004   0.00260  -0.00473  -0.00213   0.68555
    D3        2.81326   0.00002   0.00261  -0.00428  -0.00168   2.81159
    D4       -1.23833  -0.00001   0.00137  -0.00095   0.00042  -1.23791
    D5        2.87510  -0.00001   0.00102  -0.00102  -0.00001   2.87508
    D6        0.85145   0.00000   0.00127  -0.00118   0.00010   0.85155
    D7        0.51517   0.00001  -0.00081   0.00095   0.00013   0.51530
    D8        2.64864   0.00001  -0.00097   0.00063  -0.00034   2.64830
    D9       -1.61550   0.00001  -0.00092   0.00089  -0.00003  -1.61552
   D10        3.03500  -0.00002   0.00005  -0.00011  -0.00006   3.03494
   D11        0.78178  -0.00002   0.00025  -0.00012   0.00012   0.78191
   D12       -1.18969  -0.00002   0.00027   0.00007   0.00034  -1.18935
   D13       -1.13989   0.00000   0.00002   0.00004   0.00006  -1.13984
   D14        2.89007   0.00000   0.00022   0.00003   0.00025   2.89032
   D15        0.91860   0.00000   0.00024   0.00022   0.00046   0.91907
   D16        1.00906   0.00005   0.00005   0.00042   0.00047   1.00953
   D17       -1.24416   0.00005   0.00024   0.00041   0.00066  -1.24350
   D18        3.06756   0.00005   0.00027   0.00061   0.00087   3.06843
   D19        1.45386  -0.00003  -0.00065   0.00075   0.00010   1.45396
   D20       -0.67196   0.00001  -0.00030   0.00051   0.00021  -0.67175
   D21       -2.82768   0.00000  -0.00028   0.00095   0.00066  -2.82702
   D22       -0.56531  -0.00001  -0.00067   0.00063  -0.00004  -0.56535
   D23       -2.69113   0.00003  -0.00032   0.00039   0.00007  -2.69107
   D24        1.43633   0.00002  -0.00030   0.00082   0.00052   1.43685
   D25       -2.73917  -0.00004  -0.00074   0.00053  -0.00021  -2.73938
   D26        1.41819   0.00000  -0.00039   0.00029  -0.00010   1.41809
   D27       -0.73753  -0.00001  -0.00037   0.00072   0.00035  -0.73718
   D28        0.96556   0.00001  -0.00057   0.00032  -0.00025   0.96531
   D29       -1.18721   0.00000  -0.00066   0.00033  -0.00033  -1.18754
   D30        3.06406   0.00001  -0.00062   0.00053  -0.00008   3.06397
   D31        2.90067   0.00001  -0.00069   0.00056  -0.00013   2.90055
   D32        0.74791   0.00001  -0.00078   0.00057  -0.00021   0.74770
   D33       -1.28401   0.00002  -0.00074   0.00077   0.00004  -1.28397
   D34       -1.22106  -0.00002  -0.00057   0.00021  -0.00036  -1.22142
   D35        2.90936  -0.00002  -0.00065   0.00021  -0.00044   2.90892
   D36        0.87744  -0.00001  -0.00061   0.00042  -0.00019   0.87725
   D37        1.01741   0.00000  -0.00125   0.00232   0.00107   1.01848
   D38        3.13307  -0.00001  -0.00121   0.00204   0.00083   3.13390
   D39       -1.10276   0.00000  -0.00138   0.00211   0.00073  -1.10203
   D40       -0.91473   0.00002  -0.00110   0.00246   0.00136  -0.91337
   D41        1.20093   0.00000  -0.00106   0.00218   0.00112   1.20205
   D42       -3.03490   0.00002  -0.00123   0.00225   0.00102  -3.03388
   D43       -3.13695   0.00000  -0.00117   0.00250   0.00134  -3.13561
   D44       -1.02129  -0.00001  -0.00113   0.00223   0.00109  -1.02020
   D45        1.02607   0.00000  -0.00130   0.00230   0.00100   1.02706
   D46        1.08629   0.00000  -0.00001  -0.00041  -0.00042   1.08587
   D47       -3.04806   0.00000  -0.00022  -0.00014  -0.00035  -3.04840
   D48       -0.94867   0.00000  -0.00014  -0.00008  -0.00022  -0.94889
   D49       -3.09043   0.00001  -0.00015  -0.00050  -0.00065  -3.09108
   D50       -0.94159   0.00000  -0.00035  -0.00023  -0.00058  -0.94217
   D51        1.15780   0.00000  -0.00028  -0.00017  -0.00045   1.15734
   D52       -0.97655   0.00001   0.00005  -0.00027  -0.00022  -0.97677
   D53        1.17229   0.00000  -0.00015   0.00000  -0.00015   1.17214
   D54       -3.01151   0.00001  -0.00008   0.00005  -0.00003  -3.01154
   D55       -0.59312   0.00002  -0.00015  -0.00031  -0.00046  -0.59358
   D56        1.49820   0.00001  -0.00014  -0.00061  -0.00075   1.49745
   D57       -2.71492   0.00001  -0.00036  -0.00052  -0.00089  -2.71581
   D58       -2.75886   0.00000  -0.00008  -0.00027  -0.00036  -2.75922
   D59       -0.66754  -0.00001  -0.00007  -0.00058  -0.00065  -0.66819
   D60        1.40252  -0.00001  -0.00030  -0.00049  -0.00078   1.40174
   D61        1.39929   0.00000  -0.00038  -0.00065  -0.00103   1.39826
   D62       -2.79257  -0.00001  -0.00036  -0.00096  -0.00132  -2.79389
   D63       -0.72251  -0.00001  -0.00059  -0.00087  -0.00145  -0.72396
   D64        1.11515  -0.00001   0.00008   0.00076   0.00084   1.11599
   D65       -0.87616   0.00001   0.00037   0.00046   0.00082  -0.87534
   D66        3.11035  -0.00002   0.00006   0.00053   0.00059   3.11094
   D67       -1.02826  -0.00001   0.00034   0.00016   0.00050  -1.02776
   D68       -3.01957   0.00001   0.00062  -0.00014   0.00048  -3.01909
   D69        0.96694  -0.00002   0.00031  -0.00007   0.00024   0.96718
   D70       -3.10844   0.00000   0.00024   0.00061   0.00085  -3.10758
   D71        1.18344   0.00002   0.00053   0.00031   0.00084   1.18427
   D72       -1.11324  -0.00001   0.00022   0.00038   0.00060  -1.11264
   D73       -3.05378   0.00001   0.00025  -0.00046  -0.00021  -3.05399
   D74        1.10459   0.00000   0.00016  -0.00044  -0.00028   1.10431
   D75       -0.91819   0.00001   0.00031  -0.00048  -0.00018  -0.91836
   D76       -0.93494   0.00000   0.00003   0.00000   0.00002  -0.93492
   D77       -3.05976   0.00000  -0.00006   0.00002  -0.00005  -3.05980
   D78        1.20065   0.00000   0.00008  -0.00003   0.00006   1.20071
   D79        1.12612   0.00000   0.00014  -0.00057  -0.00043   1.12569
   D80       -0.99869  -0.00001   0.00005  -0.00055  -0.00050  -0.99919
   D81       -3.02147   0.00000   0.00019  -0.00059  -0.00040  -3.02187
   D82        2.94175  -0.00002  -0.00092  -0.00070  -0.00163   2.94013
   D83       -1.28372  -0.00001  -0.00066  -0.00054  -0.00119  -1.28491
   D84        0.86750  -0.00001  -0.00067  -0.00053  -0.00120   0.86629
   D85       -1.30195  -0.00001  -0.00109  -0.00037  -0.00146  -1.30341
   D86        0.75576  -0.00001  -0.00082  -0.00021  -0.00102   0.75474
   D87        2.90698  -0.00001  -0.00083  -0.00021  -0.00103   2.90595
   D88        0.96405   0.00000  -0.00095  -0.00027  -0.00122   0.96283
   D89        3.02176   0.00000  -0.00069  -0.00011  -0.00079   3.02097
   D90       -1.11021   0.00000  -0.00070  -0.00010  -0.00080  -1.11101
   D91        1.08725   0.00000  -0.00058   0.00021  -0.00037   1.08688
   D92       -3.13393  -0.00002  -0.00073   0.00012  -0.00061  -3.13454
   D93       -1.05203   0.00000  -0.00062   0.00024  -0.00038  -1.05241
   D94       -0.94647   0.00001  -0.00043   0.00012  -0.00032  -0.94678
   D95        1.11554  -0.00002  -0.00058   0.00003  -0.00055   1.11499
   D96       -3.08575   0.00000  -0.00047   0.00015  -0.00033  -3.08607
   D97        3.05400  -0.00002  -0.00080   0.00005  -0.00076   3.05324
   D98       -1.16718  -0.00004  -0.00095  -0.00004  -0.00099  -1.16817
   D99        0.91472  -0.00002  -0.00084   0.00008  -0.00077   0.91395
   D100      -1.76252   0.00000   0.00038  -0.00083  -0.00045  -1.76297
   D101       0.40661   0.00001   0.00028  -0.00085  -0.00057   0.40604
   D102       2.49091   0.00001   0.00036  -0.00097  -0.00061   2.49030
   D103       0.32691   0.00000   0.00024  -0.00074  -0.00049   0.32642
   D104       2.49604   0.00001   0.00015  -0.00076  -0.00061   2.49543
   D105      -1.70284   0.00001   0.00022  -0.00087  -0.00065  -1.70349
   D106       2.49693  -0.00005   0.00024  -0.00165  -0.00141   2.49552
   D107      -1.61712  -0.00004   0.00014  -0.00167  -0.00153  -1.61865
   D108       0.46718  -0.00004   0.00022  -0.00178  -0.00157   0.46561
   D109      -2.62762  -0.00003  -0.00083  -0.00329  -0.00412  -2.63174
   D110       0.49113   0.00003   0.00069  -0.00155  -0.00085   0.49028
   D111       1.57920  -0.00005  -0.00105  -0.00322  -0.00427   1.57493
   D112      -1.58524   0.00001   0.00047  -0.00148  -0.00100  -1.58624
   D113      -0.49681  -0.00003  -0.00103  -0.00271  -0.00374  -0.50055
   D114       2.62193   0.00003   0.00050  -0.00097  -0.00047   2.62147
   D115       0.15965  -0.00001  -0.00007   0.00067   0.00060   0.16025
   D116      -2.00616  -0.00002   0.00004   0.00072   0.00076  -2.00540
   D117       2.17204  -0.00002   0.00004   0.00049   0.00053   2.17257
   D118      -1.94418   0.00000   0.00000   0.00097   0.00097  -1.94322
   D119       2.17319   0.00000   0.00010   0.00102   0.00112   2.17431
   D120       0.06821  -0.00001   0.00010   0.00079   0.00089   0.06910
   D121       2.27809   0.00001   0.00020   0.00111   0.00131   2.27941
   D122       0.11228   0.00001   0.00030   0.00117   0.00147   0.11375
   D123      -1.99270   0.00000   0.00031   0.00094   0.00124  -1.99146
   D124       1.32311   0.00005   0.00133  -0.00011   0.00122   1.32433
   D125      -0.80246  -0.00001   0.00097  -0.00020   0.00077  -0.80169
   D126      -2.95412   0.00001   0.00094  -0.00006   0.00087  -2.95325
   D127      -2.80410   0.00004   0.00141  -0.00032   0.00109  -2.80301
   D128       1.35351  -0.00002   0.00105  -0.00041   0.00064   1.35415
   D129      -0.79815   0.00000   0.00101  -0.00027   0.00074  -0.79741
   D130      -0.79659   0.00003   0.00138  -0.00037   0.00100  -0.79559
   D131      -2.92216  -0.00003   0.00101  -0.00046   0.00055  -2.92161
   D132       1.20936  -0.00001   0.00098  -0.00033   0.00065   1.21002
   D133       0.95394   0.00000   0.00117  -0.00124  -0.00007   0.95387
   D134       3.03503   0.00000   0.00118  -0.00110   0.00008   3.03511
   D135      -1.14722   0.00000   0.00139  -0.00131   0.00007  -1.14715
   D136       3.05612  -0.00001   0.00095  -0.00123  -0.00028   3.05584
   D137      -1.14598   0.00000   0.00097  -0.00109  -0.00012  -1.14610
   D138       0.95495  -0.00001   0.00118  -0.00131  -0.00013   0.95482
   D139      -1.11879   0.00000   0.00098  -0.00093   0.00005  -1.11874
   D140       0.96229   0.00000   0.00100  -0.00079   0.00021   0.96250
   D141       3.06323   0.00000   0.00121  -0.00100   0.00020   3.06343
   D142       0.96896   0.00000   0.00008  -0.00011  -0.00002   0.96894
   D143      -2.19081   0.00000   0.00006  -0.00066  -0.00060  -2.19141
   D144      -1.15522   0.00001   0.00014   0.00021   0.00035  -1.15487
   D145       1.96820   0.00001   0.00012  -0.00034  -0.00022   1.96797
   D146       3.07897   0.00000   0.00022  -0.00029  -0.00006   3.07891
   D147      -0.08080  -0.00001   0.00020  -0.00084  -0.00064  -0.08143
   D148      -0.88211   0.00001   0.00019   0.00241   0.00260  -0.87951
   D149       1.21323   0.00001   0.00015   0.00237   0.00251   1.21574
   D150      -2.98080   0.00000   0.00019   0.00196   0.00215  -2.97865
   D151       1.18684   0.00000   0.00008   0.00227   0.00235   1.18919
   D152      -3.00102   0.00001   0.00004   0.00222   0.00227  -2.99875
   D153      -0.91186  -0.00001   0.00009   0.00181   0.00190  -0.90995
   D154      -2.98893   0.00000   0.00000   0.00258   0.00258  -2.98635
   D155      -0.89360   0.00001  -0.00004   0.00253   0.00249  -0.89111
   D156       1.19556   0.00000   0.00001   0.00212   0.00213   1.19769
   D157       2.16882   0.00001  -0.00019   0.00072   0.00053   2.16935
   D158      -0.99300   0.00000  -0.00025   0.00096   0.00070  -0.99230
   D159       0.07669   0.00000  -0.00022   0.00081   0.00058   0.07728
   D160      -3.08513   0.00000  -0.00029   0.00105   0.00076  -3.08437
   D161      -1.97262   0.00001  -0.00008   0.00046   0.00039  -1.97223
   D162       1.14874   0.00001  -0.00014   0.00070   0.00056   1.14930
   D163       0.91052   0.00000  -0.00039   0.00019  -0.00019   0.91033
   D164      -1.21758   0.00000  -0.00048   0.00026  -0.00022  -1.21779
   D165       3.05660   0.00000  -0.00041   0.00034  -0.00007   3.05654
   D166       3.03629   0.00000  -0.00036   0.00018  -0.00018   3.03610
   D167       0.90819   0.00000  -0.00046   0.00025  -0.00021   0.90799
   D168      -1.10081   0.00000  -0.00039   0.00033  -0.00006  -1.10087
   D169      -1.23425   0.00000  -0.00048   0.00021  -0.00026  -1.23451
   D170       2.92084   0.00000  -0.00057   0.00028  -0.00029   2.92055
   D171       0.91183   0.00000  -0.00050   0.00036  -0.00014   0.91170
   D172      -0.96253   0.00000   0.00036  -0.00015   0.00021  -0.96232
   D173       2.19703   0.00000   0.00038   0.00040   0.00078   2.19781
   D174       1.17488   0.00000   0.00048  -0.00024   0.00024   1.17511
   D175      -1.94875   0.00000   0.00050   0.00031   0.00081  -1.94794
   D176      -3.09220   0.00000   0.00038  -0.00029   0.00009  -3.09210
   D177       0.06737   0.00000   0.00040   0.00026   0.00066   0.06803
   D178       0.02848   0.00000  -0.00019  -0.00022  -0.00041   0.02808
   D179      -3.12818   0.00000  -0.00012   0.00017   0.00005  -3.12813
   D180      -3.13237  -0.00001  -0.00021  -0.00081  -0.00102  -3.13338
   D181      -0.00584   0.00000  -0.00014  -0.00042  -0.00056  -0.00641
   D182      -0.25882   0.00000  -0.00089  -0.00170  -0.00259  -0.26141
   D183      -2.30922   0.00003  -0.00059  -0.00148  -0.00207  -2.31129
   D184       1.86009   0.00002  -0.00090  -0.00157  -0.00248   1.85761
   D185       2.90527  -0.00006  -0.00239  -0.00341  -0.00580   2.89948
   D186       0.85487  -0.00003  -0.00209  -0.00319  -0.00528   0.84959
   D187      -1.25900  -0.00004  -0.00241  -0.00328  -0.00569  -1.26468
   D188      -0.01947   0.00001   0.00022   0.00029   0.00050  -0.01897
   D189       3.12633   0.00000   0.00005   0.00024   0.00028   3.12662
   D190      -3.13974   0.00001   0.00029   0.00004   0.00033  -3.13941
   D191       0.00607   0.00001   0.00012  -0.00001   0.00011   0.00617
   D192      -3.10595   0.00000  -0.00077   0.00103   0.00026  -3.10569
   D193       0.03480   0.00002   0.00015   0.00132   0.00147   0.03627
   D194       0.04958   0.00000  -0.00083   0.00067  -0.00016   0.04942
   D195      -3.09286   0.00001   0.00009   0.00096   0.00104  -3.09181
   D196       3.10110   0.00000   0.00074  -0.00106  -0.00032   3.10078
   D197      -0.03966  -0.00002  -0.00016  -0.00135  -0.00151  -0.04117
   D198      -0.04438   0.00000   0.00090  -0.00101  -0.00012  -0.04450
   D199       3.09804  -0.00001  -0.00001  -0.00130  -0.00131   3.09673
         Item               Value     Threshold  Converged?
 Maximum Force            0.000226     0.000450     YES
 RMS     Force            0.000030     0.000300     YES
 Maximum Displacement     0.015404     0.001800     NO 
 RMS     Displacement     0.002293     0.001200     NO 
 Predicted change in Energy=-1.669197D-06
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C22H29FO5
 Framework group  C1[X(C22H29FO5)]
 Deg. of freedom   165
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          9           0        1.538108    0.051634   -1.389689
      2          8           0       -3.017827    0.240175   -1.811952
      3          8           0        0.336714   -2.204362    1.136919
      4          8           0       -4.878152   -0.143831    1.043255
      5          8           0       -5.567863   -2.435323   -0.209838
      6          8           0        6.481252   -0.153994   -1.406561
      7          6           0       -1.652507   -0.133088    0.206569
      8          6           0       -0.752056    1.121987   -0.013099
      9          6           0        0.627970    0.925738    0.627182
     10          6           0        1.331401   -0.277072   -0.065766
     11          6           0       -3.009053    0.397254   -0.385325
     12          6           0       -1.627190    2.297605    0.451505
     13          6           0       -1.027013   -1.311497   -0.551796
     14          6           0       -3.077516    1.893979    0.069928
     15          6           0        0.435407   -1.562369   -0.144694
     16          6           0        2.776231   -0.509360    0.513059
     17          6           0        1.470784    2.206980    0.528711
     18          6           0       -1.860896   -0.497531    1.677748
     19          6           0        2.896318    1.998110    1.050871
     20          6           0        3.544906    0.809686    0.399021
     21          6           0       -4.239678   -0.413022    0.051435
     22          6           0       -3.689832    2.802434   -0.986986
     23          6           0        2.766178   -0.902185    2.001831
     24          6           0        3.452884   -1.638427   -0.243405
     25          6           0        4.730236    0.905933   -0.219867
     26          6           0       -4.635644   -1.568145   -0.849781
     27          6           0        4.630367   -1.522045   -0.859271
     28          6           0        5.391564   -0.240000   -0.879758
     29          1           0       -0.601502    1.254449   -1.117037
     30          1           0        0.500952    0.655735    1.707297
     31          1           0       -1.544200    2.461202    1.539307
     32          1           0       -1.324036    3.243994   -0.023307
     33          1           0       -1.094457   -1.145917   -1.646484
     34          1           0       -1.601517   -2.241146   -0.349975
     35          1           0       -3.718597    1.934991    0.989093
     36          1           0        0.896252   -2.290367   -0.856602
     37          1           0        0.981835    3.018270    1.102701
     38          1           0        1.509160    2.565911   -0.520144
     39          1           0       -2.311685    0.313351    2.258076
     40          1           0       -2.504699   -1.379268    1.791983
     41          1           0       -0.907101   -0.769921    2.157538
     42          1           0        2.890852    1.861341    2.153219
     43          1           0        3.490709    2.920387    0.878964
     44          1           0       -4.679516    2.440368   -1.297407
     45          1           0       -3.824154    3.821029   -0.602026
     46          1           0       -3.073456    2.874781   -1.890165
     47          1           0        2.156650   -0.214698    2.602883
     48          1           0        2.359756   -1.911285    2.166658
     49          1           0        3.784080   -0.894850    2.415382
     50          1           0       -2.473927    0.938075   -2.239598
     51          1           0        2.914366   -2.587750   -0.239733
     52          1           0        1.190865   -2.628656    1.387282
     53          1           0        5.282513    1.844814   -0.289465
     54          1           0       -3.778682   -2.220694   -1.111409
     55          1           0       -5.082637   -1.185449   -1.792724
     56          1           0        5.109600   -2.348213   -1.387609
     57          1           0       -6.120557   -1.926297    0.437248
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.4207748      0.1032038      0.0948153
 Standard basis: VSTO-6G (5D, 7F)
 There are   141 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   141 basis functions,   846 primitive gaussians,   141 cartesian basis functions
    77 alpha electrons       77 beta electrons
       nuclear repulsion energy      1659.8990286770 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   141 RedAO= F  NBF=   141
 NBsUse=   141 1.00D-04 NBFU=   141
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=982442.
 SCF Done:  E(RPM6) = -0.418004134777     A.U. after   10 cycles
             Convg  =    0.6603D-08             -V/T =  0.9987
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        9          -0.000025810   -0.000015368    0.000010890
      2        8          -0.000004887    0.000024218   -0.000025952
      3        8           0.000111836    0.000071745   -0.000018488
      4        8          -0.000052758   -0.000035158   -0.000048241
      5        8          -0.000089238   -0.000063846   -0.000161517
      6        8           0.000006166    0.000003432   -0.000052113
      7        6           0.000085955    0.000045482   -0.000012330
      8        6           0.000020476    0.000029354   -0.000020365
      9        6          -0.000027900    0.000010061    0.000072466
     10        6          -0.000055329    0.000001442    0.000003986
     11        6          -0.000104473   -0.000056331    0.000036513
     12        6           0.000032398   -0.000028612    0.000007214
     13        6          -0.000003746   -0.000047774   -0.000018387
     14        6           0.000028718    0.000037928    0.000036851
     15        6           0.000037457   -0.000038963   -0.000054185
     16        6           0.000028217    0.000013280   -0.000012787
     17        6          -0.000003209    0.000010488    0.000014463
     18        6           0.000042286    0.000001872   -0.000031150
     19        6          -0.000018392    0.000000530    0.000010201
     20        6           0.000007711    0.000005783   -0.000032361
     21        6           0.000082677    0.000072302    0.000046862
     22        6          -0.000017147    0.000000068    0.000001065
     23        6          -0.000006390   -0.000004656   -0.000010565
     24        6           0.000001986   -0.000027382    0.000001183
     25        6           0.000021621   -0.000025549   -0.000042327
     26        6           0.000030066   -0.000048304    0.000060783
     27        6           0.000020096    0.000013377   -0.000030372
     28        6          -0.000037861   -0.000010905    0.000098541
     29        1           0.000045621   -0.000000106   -0.000011020
     30        1          -0.000004513   -0.000003133   -0.000000952
     31        1          -0.000007316   -0.000001905   -0.000027153
     32        1           0.000003862    0.000001562    0.000017669
     33        1           0.000008656    0.000001074    0.000000023
     34        1          -0.000001154    0.000023379   -0.000010577
     35        1          -0.000008129   -0.000007948   -0.000019265
     36        1          -0.000000064   -0.000001303    0.000015167
     37        1          -0.000007055    0.000007632   -0.000007219
     38        1          -0.000008676    0.000012422   -0.000010385
     39        1          -0.000013550    0.000014508   -0.000010963
     40        1          -0.000015181    0.000001819   -0.000016854
     41        1          -0.000003146   -0.000000612    0.000018054
     42        1           0.000007678    0.000006097    0.000006560
     43        1          -0.000000543    0.000003866    0.000012327
     44        1          -0.000011447    0.000005760    0.000004814
     45        1           0.000002001   -0.000013777   -0.000001593
     46        1           0.000013878   -0.000006472   -0.000002808
     47        1          -0.000004206   -0.000006067    0.000005417
     48        1           0.000001738   -0.000000807    0.000007747
     49        1          -0.000002835    0.000007205    0.000002163
     50        1          -0.000004997   -0.000011100   -0.000002131
     51        1           0.000002429    0.000015117    0.000001909
     52        1          -0.000149194   -0.000079677    0.000056790
     53        1          -0.000009721    0.000016536    0.000013272
     54        1          -0.000026715   -0.000003080    0.000008004
     55        1           0.000011141   -0.000009038   -0.000016565
     56        1          -0.000007430   -0.000001877    0.000009103
     57        1           0.000078342    0.000091414    0.000128588
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000161517 RMS     0.000037028

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.000178018 RMS     0.000018880
 Search for a local minimum.
 Step number  25 out of a maximum of  342
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   19   20   21   22   23
                                                     24   25
 DE= -1.35D-06 DEPred=-1.67D-06 R= 8.10D-01
 SS=  1.41D+00  RLast= 1.78D-02 DXNew= 3.1318D+00 5.3264D-02
 Trust test= 8.10D-01 RLast= 1.78D-02 DXMaxT set to 1.86D+00
     Eigenvalues ---    0.00093   0.00170   0.00202   0.00261   0.00276
     Eigenvalues ---    0.00358   0.00402   0.00494   0.00517   0.00602
     Eigenvalues ---    0.00676   0.00710   0.00833   0.01168   0.01304
     Eigenvalues ---    0.01399   0.01465   0.01533   0.01687   0.01762
     Eigenvalues ---    0.02094   0.02223   0.02329   0.02371   0.02560
     Eigenvalues ---    0.03056   0.03405   0.03718   0.03780   0.03918
     Eigenvalues ---    0.04051   0.04130   0.04271   0.04411   0.04577
     Eigenvalues ---    0.04673   0.04804   0.04855   0.04964   0.05030
     Eigenvalues ---    0.05035   0.05172   0.05238   0.05283   0.05338
     Eigenvalues ---    0.05359   0.05421   0.05521   0.05546   0.05633
     Eigenvalues ---    0.05795   0.05965   0.06130   0.06280   0.06847
     Eigenvalues ---    0.06887   0.06999   0.07089   0.07152   0.07361
     Eigenvalues ---    0.07792   0.08024   0.08154   0.08299   0.08333
     Eigenvalues ---    0.08359   0.09086   0.09253   0.09376   0.10698
     Eigenvalues ---    0.11229   0.11767   0.12006   0.12928   0.13327
     Eigenvalues ---    0.13925   0.14389   0.14950   0.15141   0.15566
     Eigenvalues ---    0.15761   0.15892   0.15942   0.15998   0.16004
     Eigenvalues ---    0.16005   0.16018   0.16027   0.16060   0.16114
     Eigenvalues ---    0.16204   0.16354   0.16818   0.17046   0.17796
     Eigenvalues ---    0.18876   0.19205   0.19594   0.20027   0.21351
     Eigenvalues ---    0.21394   0.22347   0.22906   0.23395   0.23674
     Eigenvalues ---    0.24916   0.25168   0.25322   0.25832   0.26570
     Eigenvalues ---    0.26642   0.27591   0.27772   0.27906   0.28366
     Eigenvalues ---    0.28848   0.29232   0.29663   0.30015   0.30346
     Eigenvalues ---    0.31060   0.31385   0.32277   0.32503   0.33288
     Eigenvalues ---    0.33497   0.33795   0.33844   0.33913   0.33998
     Eigenvalues ---    0.34061   0.34069   0.34093   0.34120   0.34166
     Eigenvalues ---    0.34214   0.34225   0.34270   0.34291   0.34317
     Eigenvalues ---    0.34322   0.34364   0.34386   0.34509   0.34570
     Eigenvalues ---    0.34702   0.34990   0.35097   0.35391   0.35511
     Eigenvalues ---    0.35660   0.35948   0.38965   0.42598   0.44420
     Eigenvalues ---    0.46189   0.48440   0.49510   0.51560   0.53502
     Eigenvalues ---    0.54075   0.57508   0.58304   0.89266   0.92531
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    25   24   23   22   21
 RFO step:  Lambda=-2.57153361D-07.
 DIIS coeffs:      0.91152      0.14757     -0.09264     -0.01554      0.04909
 Iteration  1 RMS(Cart)=  0.00081845 RMS(Int)=  0.00000092
 Iteration  2 RMS(Cart)=  0.00000052 RMS(Int)=  0.00000080
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.60724   0.00001   0.00004   0.00002   0.00006   2.60729
    R2        2.71228  -0.00003   0.00003  -0.00009  -0.00006   2.71222
    R3        1.85710   0.00000   0.00004  -0.00004   0.00001   1.85711
    R4        2.71518  -0.00004  -0.00003  -0.00006  -0.00009   2.71509
    R5        1.86335  -0.00018  -0.00025  -0.00017  -0.00042   1.86293
    R6        2.28635   0.00008  -0.00002   0.00006   0.00004   2.28639
    R7        2.69281   0.00004   0.00003   0.00006   0.00009   2.69291
    R8        1.87388  -0.00017  -0.00016  -0.00031  -0.00047   1.87341
    R9        2.29299  -0.00002   0.00001  -0.00001   0.00000   2.29299
   R10        2.94838  -0.00001   0.00000  -0.00002  -0.00002   2.94836
   R11        2.97103   0.00008   0.00012   0.00021   0.00033   2.97136
   R12        2.89998  -0.00004  -0.00007  -0.00003  -0.00011   2.89987
   R13        2.89110   0.00004   0.00005   0.00005   0.00010   2.89121
   R14        2.89871  -0.00011  -0.00011  -0.00016  -0.00026   2.89845
   R15        2.90538   0.00000  -0.00001   0.00001   0.00000   2.90539
   R16        2.12028   0.00000   0.00002   0.00000   0.00003   2.12031
   R17        2.94078  -0.00005  -0.00003  -0.00011  -0.00014   2.94064
   R18        2.90404  -0.00004   0.00002  -0.00007  -0.00005   2.90399
   R19        2.11758   0.00000  -0.00006   0.00005  -0.00001   2.11756
   R20        2.96453  -0.00005  -0.00009  -0.00006  -0.00015   2.96438
   R21        2.97386   0.00003  -0.00004   0.00025   0.00021   2.97407
   R22        2.95917   0.00000  -0.00010   0.00001  -0.00009   2.95908
   R23        2.90413  -0.00003  -0.00007   0.00014   0.00007   2.90419
   R24        2.93484   0.00002   0.00002   0.00006   0.00008   2.93492
   R25        2.08467   0.00003   0.00005   0.00013   0.00019   2.08486
   R26        2.08128   0.00001  -0.00010  -0.00005  -0.00015   2.08113
   R27        2.90756  -0.00004   0.00003  -0.00007  -0.00004   2.90752
   R28        2.09607   0.00000  -0.00003   0.00000  -0.00003   2.09604
   R29        2.10009   0.00002   0.00004   0.00003   0.00007   2.10016
   R30        2.87666   0.00001  -0.00002   0.00011   0.00008   2.87674
   R31        2.11913   0.00002  -0.00003   0.00004   0.00000   2.11914
   R32        2.11208   0.00001   0.00011   0.00002   0.00013   2.11221
   R33        2.89304  -0.00001  -0.00002   0.00002   0.00000   2.89304
   R34        2.90972  -0.00001  -0.00001   0.00003   0.00002   2.90974
   R35        2.86895   0.00000  -0.00007   0.00004  -0.00002   2.86893
   R36        2.89592  -0.00001  -0.00001  -0.00003  -0.00004   2.89589
   R37        2.09302   0.00000   0.00001   0.00000   0.00001   2.09302
   R38        2.09615  -0.00001  -0.00003  -0.00003  -0.00005   2.09609
   R39        2.06795   0.00000  -0.00001  -0.00001  -0.00002   2.06793
   R40        2.07439   0.00001   0.00002   0.00004   0.00006   2.07445
   R41        2.08223  -0.00001  -0.00002  -0.00006  -0.00008   2.08216
   R42        2.83958  -0.00002   0.00002  -0.00004  -0.00002   2.83956
   R43        2.09913  -0.00001   0.00001  -0.00001   0.00000   2.09913
   R44        2.09874   0.00000   0.00002  -0.00001   0.00002   2.09876
   R45        2.53343  -0.00001   0.00002  -0.00002   0.00000   2.53342
   R46        2.86796  -0.00002  -0.00004   0.00008   0.00003   2.86799
   R47        2.07606   0.00001   0.00002   0.00005   0.00007   2.07613
   R48        2.07334   0.00001   0.00001   0.00005   0.00006   2.07340
   R49        2.07085   0.00001  -0.00006  -0.00001  -0.00007   2.07079
   R50        2.07477   0.00000  -0.00001   0.00001   0.00000   2.07477
   R51        2.07924   0.00000  -0.00002   0.00003   0.00001   2.07925
   R52        2.07629   0.00000   0.00000  -0.00002  -0.00002   2.07628
   R53        2.52072   0.00000   0.00002  -0.00001   0.00001   2.52072
   R54        2.06251   0.00001   0.00003   0.00004   0.00007   2.06258
   R55        2.79397   0.00000   0.00001  -0.00001   0.00000   2.79397
   R56        2.06262  -0.00002  -0.00002  -0.00005  -0.00007   2.06255
   R57        2.09466  -0.00002  -0.00004   0.00001  -0.00003   2.09463
   R58        2.10040  -0.00002   0.00001  -0.00005  -0.00004   2.10036
   R59        2.81783   0.00000  -0.00001  -0.00001  -0.00003   2.81781
   R60        2.06262   0.00000  -0.00002  -0.00001  -0.00003   2.06260
    A1        1.92990  -0.00001   0.00003  -0.00003   0.00000   1.92990
    A2        1.93826  -0.00002   0.00017  -0.00004   0.00013   1.93839
    A3        1.92335   0.00000   0.00007   0.00000   0.00007   1.92342
    A4        1.74529  -0.00001  -0.00004  -0.00004  -0.00008   1.74521
    A5        1.88904   0.00000  -0.00001  -0.00013  -0.00013   1.88891
    A6        1.98846   0.00000   0.00000  -0.00002  -0.00001   1.98844
    A7        2.00939   0.00000   0.00001   0.00002   0.00003   2.00942
    A8        1.90165   0.00002   0.00009   0.00012   0.00021   1.90186
    A9        1.92602  -0.00001  -0.00005   0.00004  -0.00002   1.92601
   A10        1.93643   0.00000  -0.00002  -0.00001  -0.00003   1.93640
   A11        1.81733   0.00001   0.00013   0.00008   0.00021   1.81754
   A12        1.88697   0.00001  -0.00007   0.00008   0.00002   1.88699
   A13        2.07577  -0.00001  -0.00008  -0.00006  -0.00013   2.07564
   A14        1.88081  -0.00001   0.00002  -0.00018  -0.00016   1.88065
   A15        1.85816   0.00000   0.00002   0.00011   0.00013   1.85829
   A16        1.89619   0.00001  -0.00004   0.00002  -0.00002   1.89617
   A17        1.93906  -0.00002   0.00000  -0.00004  -0.00004   1.93902
   A18        1.90836   0.00000   0.00001   0.00005   0.00006   1.90842
   A19        1.94762   0.00001  -0.00002  -0.00003  -0.00006   1.94756
   A20        1.86942   0.00000   0.00012  -0.00001   0.00012   1.86954
   A21        1.90162   0.00000  -0.00006   0.00002  -0.00005   1.90157
   A22        1.88690  -0.00001  -0.00004  -0.00009  -0.00013   1.88676
   A23        1.80543   0.00000  -0.00010   0.00001  -0.00009   1.80534
   A24        1.82405   0.00002   0.00001   0.00017   0.00018   1.82424
   A25        1.97958   0.00000   0.00020  -0.00005   0.00015   1.97973
   A26        1.94476  -0.00001  -0.00012  -0.00003  -0.00015   1.94461
   A27        2.00639   0.00000   0.00003   0.00001   0.00004   2.00642
   A28        1.92044   0.00001  -0.00008  -0.00016  -0.00025   1.92019
   A29        1.97503   0.00000  -0.00001   0.00009   0.00009   1.97511
   A30        1.79250  -0.00002   0.00001  -0.00005  -0.00004   1.79246
   A31        1.82419  -0.00001  -0.00003   0.00003   0.00000   1.82419
   A32        1.98896   0.00000  -0.00004  -0.00006  -0.00010   1.98886
   A33        1.96743   0.00002   0.00014   0.00014   0.00028   1.96771
   A34        1.83235   0.00000   0.00006  -0.00001   0.00005   1.83241
   A35        1.94825   0.00000   0.00001  -0.00004  -0.00003   1.94822
   A36        1.94991   0.00000   0.00000   0.00004   0.00004   1.94995
   A37        1.92951   0.00000  -0.00007  -0.00009  -0.00016   1.92935
   A38        1.95460   0.00000   0.00001   0.00003   0.00004   1.95464
   A39        1.85144   0.00001  -0.00001   0.00006   0.00005   1.85149
   A40        1.96260  -0.00001   0.00000  -0.00002  -0.00002   1.96258
   A41        1.92655   0.00000   0.00002   0.00000   0.00002   1.92657
   A42        1.91974   0.00001   0.00000   0.00009   0.00009   1.91983
   A43        1.92119   0.00000   0.00001  -0.00003  -0.00002   1.92117
   A44        1.88274   0.00000  -0.00007  -0.00005  -0.00012   1.88262
   A45        1.84697   0.00000   0.00005   0.00001   0.00006   1.84703
   A46        1.85356   0.00001   0.00001   0.00001   0.00002   1.85358
   A47        1.96724   0.00000   0.00003   0.00006   0.00010   1.96734
   A48        1.87365   0.00000  -0.00006   0.00007   0.00001   1.87366
   A49        1.97265  -0.00001   0.00004  -0.00007  -0.00004   1.97261
   A50        1.89967   0.00000   0.00000  -0.00003  -0.00003   1.89964
   A51        1.89369   0.00000  -0.00002  -0.00003  -0.00005   1.89364
   A52        1.93953   0.00003   0.00021   0.00015   0.00035   1.93988
   A53        1.81685  -0.00003  -0.00013  -0.00010  -0.00023   1.81662
   A54        1.88120   0.00001  -0.00010   0.00006  -0.00004   1.88116
   A55        2.00709   0.00000   0.00011   0.00002   0.00013   2.00722
   A56        1.90732  -0.00001  -0.00005  -0.00004  -0.00010   1.90722
   A57        1.90665   0.00000  -0.00006  -0.00008  -0.00013   1.90652
   A58        1.88221   0.00000  -0.00005   0.00007   0.00002   1.88223
   A59        1.96849  -0.00002  -0.00007  -0.00014  -0.00021   1.96828
   A60        1.91315   0.00001   0.00004   0.00005   0.00010   1.91325
   A61        1.87037   0.00001   0.00009  -0.00007   0.00002   1.87039
   A62        1.96045  -0.00001   0.00001  -0.00004  -0.00003   1.96042
   A63        1.87020   0.00000  -0.00002   0.00013   0.00011   1.87030
   A64        1.95487   0.00000   0.00007  -0.00003   0.00004   1.95492
   A65        1.91281   0.00000  -0.00008  -0.00004  -0.00012   1.91269
   A66        1.92767  -0.00001  -0.00003  -0.00003  -0.00006   1.92761
   A67        1.91125   0.00000   0.00000   0.00000  -0.00001   1.91124
   A68        1.91145   0.00001   0.00000   0.00008   0.00007   1.91153
   A69        1.84240   0.00000   0.00003   0.00003   0.00007   1.84247
   A70        1.97094   0.00002   0.00003   0.00005   0.00008   1.97102
   A71        1.95121   0.00002   0.00004   0.00003   0.00007   1.95128
   A72        1.93874  -0.00003  -0.00005  -0.00008  -0.00013   1.93862
   A73        1.87383  -0.00003  -0.00007  -0.00012  -0.00019   1.87364
   A74        1.88477   0.00000   0.00003   0.00012   0.00015   1.88492
   A75        1.83775   0.00000   0.00000   0.00000   0.00001   1.83776
   A76        1.94067   0.00001   0.00011   0.00006   0.00018   1.94085
   A77        1.92873   0.00000   0.00001   0.00002   0.00003   1.92876
   A78        1.90914   0.00000  -0.00008   0.00000  -0.00008   1.90906
   A79        1.91266  -0.00001  -0.00003  -0.00006  -0.00010   1.91256
   A80        1.93759   0.00000  -0.00005  -0.00005  -0.00010   1.93749
   A81        1.83225   0.00001   0.00003   0.00003   0.00006   1.83231
   A82        2.01794  -0.00001   0.00003   0.00006   0.00009   2.01803
   A83        2.14144   0.00001   0.00002   0.00002   0.00003   2.14148
   A84        2.12364   0.00000  -0.00004  -0.00008  -0.00012   2.12352
   A85        2.13915   0.00001  -0.00002  -0.00005  -0.00007   2.13909
   A86        2.11584   0.00002   0.00001   0.00018   0.00019   2.11602
   A87        2.02802  -0.00003   0.00000  -0.00013  -0.00013   2.02789
   A88        1.94106   0.00000  -0.00007   0.00007   0.00000   1.94107
   A89        1.93872   0.00000  -0.00002  -0.00005  -0.00007   1.93865
   A90        1.96642  -0.00001   0.00007   0.00000   0.00007   1.96649
   A91        1.87006   0.00000   0.00004   0.00004   0.00008   1.87014
   A92        1.87086   0.00001  -0.00002   0.00008   0.00006   1.87092
   A93        1.87208   0.00000  -0.00001  -0.00014  -0.00014   1.87194
   A94        1.95325  -0.00001   0.00003  -0.00009  -0.00006   1.95318
   A95        1.96193  -0.00001   0.00000  -0.00003  -0.00003   1.96189
   A96        1.93497   0.00000  -0.00002   0.00006   0.00004   1.93501
   A97        1.86210   0.00001  -0.00003   0.00007   0.00005   1.86215
   A98        1.87978   0.00001  -0.00001   0.00012   0.00011   1.87989
   A99        1.86706   0.00000   0.00003  -0.00012  -0.00009   1.86696
   A100       2.16349   0.00000   0.00003   0.00001   0.00004   2.16353
   A101       2.01006   0.00001   0.00002   0.00005   0.00007   2.01013
   A102       2.10946  -0.00001  -0.00004  -0.00007  -0.00011   2.10935
   A103       2.14823  -0.00001  -0.00003  -0.00002  -0.00005   2.14818
   A104       2.13952   0.00001   0.00000   0.00003   0.00003   2.13956
   A105       1.99535   0.00000   0.00003  -0.00001   0.00001   1.99536
   A106       1.94678  -0.00001  -0.00003   0.00005   0.00002   1.94680
   A107       1.82711  -0.00001   0.00005  -0.00019  -0.00014   1.82697
   A108       1.90438   0.00001  -0.00009   0.00011   0.00002   1.90440
   A109       1.96766   0.00001  -0.00001   0.00001   0.00000   1.96766
   A110       1.92478  -0.00001   0.00003   0.00002   0.00005   1.92483
   A111       1.88954   0.00000   0.00004   0.00000   0.00004   1.88958
   A112       2.13173   0.00000  -0.00002  -0.00002  -0.00004   2.13169
   A113       2.14721   0.00000  -0.00004  -0.00001  -0.00005   2.14716
   A114       2.00424   0.00000   0.00006   0.00003   0.00009   2.00433
   A115       2.14186  -0.00001  -0.00003  -0.00003  -0.00006   2.14180
   A116       2.12391   0.00001   0.00000   0.00002   0.00002   2.12393
   A117       2.01741   0.00000   0.00003   0.00001   0.00004   2.01745
    D1       -1.34777   0.00000   0.00018  -0.00326  -0.00308  -1.35085
    D2        0.68555  -0.00001   0.00009  -0.00327  -0.00318   0.68237
    D3        2.81159   0.00000   0.00026  -0.00308  -0.00282   2.80877
    D4       -1.23791   0.00000   0.00205  -0.00036   0.00169  -1.23622
    D5        2.87508   0.00000   0.00187  -0.00040   0.00147   2.87656
    D6        0.85155   0.00001   0.00204  -0.00029   0.00175   0.85330
    D7        0.51530   0.00002  -0.00007   0.00134   0.00128   0.51658
    D8        2.64830   0.00002  -0.00006   0.00126   0.00120   2.64950
    D9       -1.61552   0.00002  -0.00003   0.00122   0.00119  -1.61433
   D10        3.03494   0.00000  -0.00026  -0.00009  -0.00034   3.03459
   D11        0.78191   0.00000  -0.00024  -0.00007  -0.00030   0.78160
   D12       -1.18935  -0.00001  -0.00029  -0.00026  -0.00055  -1.18990
   D13       -1.13984  -0.00001  -0.00026  -0.00014  -0.00040  -1.14024
   D14        2.89032   0.00000  -0.00024  -0.00012  -0.00036   2.88996
   D15        0.91907  -0.00002  -0.00029  -0.00031  -0.00061   0.91846
   D16        1.00953  -0.00002  -0.00033  -0.00020  -0.00053   1.00899
   D17       -1.24350  -0.00001  -0.00031  -0.00018  -0.00049  -1.24399
   D18        3.06843  -0.00003  -0.00037  -0.00037  -0.00074   3.06769
   D19        1.45396   0.00000  -0.00028   0.00017  -0.00011   1.45385
   D20       -0.67175   0.00000  -0.00021   0.00013  -0.00008  -0.67184
   D21       -2.82702  -0.00002  -0.00034  -0.00004  -0.00038  -2.82740
   D22       -0.56535   0.00001  -0.00025   0.00033   0.00008  -0.56527
   D23       -2.69107   0.00001  -0.00018   0.00029   0.00011  -2.69096
   D24        1.43685  -0.00001  -0.00032   0.00013  -0.00019   1.43666
   D25       -2.73938   0.00001  -0.00026   0.00018  -0.00008  -2.73947
   D26        1.41809   0.00001  -0.00019   0.00014  -0.00006   1.41803
   D27       -0.73718  -0.00002  -0.00032  -0.00003  -0.00035  -0.73753
   D28        0.96531   0.00000  -0.00006   0.00011   0.00006   0.96536
   D29       -1.18754   0.00001  -0.00009   0.00017   0.00008  -1.18746
   D30        3.06397   0.00000  -0.00015   0.00010  -0.00005   3.06392
   D31        2.90055  -0.00001  -0.00010   0.00000  -0.00011   2.90044
   D32        0.74770   0.00000  -0.00013   0.00005  -0.00008   0.74762
   D33       -1.28397  -0.00002  -0.00020  -0.00002  -0.00022  -1.28419
   D34       -1.22142   0.00000  -0.00002   0.00020   0.00018  -1.22124
   D35        2.90892   0.00001  -0.00005   0.00025   0.00020   2.90912
   D36        0.87725   0.00000  -0.00012   0.00018   0.00007   0.87731
   D37        1.01848   0.00000  -0.00148   0.00138  -0.00010   1.01837
   D38        3.13390   0.00000  -0.00152   0.00128  -0.00024   3.13366
   D39       -1.10203   0.00000  -0.00151   0.00125  -0.00026  -1.10229
   D40       -0.91337   0.00000  -0.00149   0.00136  -0.00013  -0.91350
   D41        1.20205   0.00000  -0.00152   0.00126  -0.00026   1.20179
   D42       -3.03388   0.00000  -0.00152   0.00123  -0.00029  -3.03416
   D43       -3.13561   0.00000  -0.00153   0.00123  -0.00030  -3.13592
   D44       -1.02020   0.00000  -0.00156   0.00113  -0.00044  -1.02063
   D45        1.02706  -0.00001  -0.00156   0.00110  -0.00046   1.02661
   D46        1.08587   0.00000   0.00001   0.00012   0.00013   1.08600
   D47       -3.04840   0.00001  -0.00005   0.00007   0.00002  -3.04838
   D48       -0.94889   0.00000  -0.00012   0.00010  -0.00002  -0.94892
   D49       -3.09108   0.00001   0.00011   0.00018   0.00029  -3.09079
   D50       -0.94217   0.00001   0.00006   0.00012   0.00018  -0.94199
   D51        1.15734   0.00000  -0.00002   0.00015   0.00014   1.15748
   D52       -0.97677   0.00000   0.00009   0.00014   0.00023  -0.97654
   D53        1.17214   0.00000   0.00004   0.00008   0.00012   1.17226
   D54       -3.01154  -0.00001  -0.00003   0.00011   0.00007  -3.01146
   D55       -0.59358  -0.00001   0.00057  -0.00004   0.00054  -0.59305
   D56        1.49745  -0.00001   0.00054  -0.00017   0.00036   1.49781
   D57       -2.71581   0.00000   0.00053  -0.00010   0.00043  -2.71537
   D58       -2.75922  -0.00001   0.00055  -0.00005   0.00049  -2.75873
   D59       -0.66819  -0.00001   0.00051  -0.00019   0.00032  -0.66787
   D60        1.40174   0.00000   0.00050  -0.00011   0.00039   1.40213
   D61        1.39826   0.00001   0.00056   0.00014   0.00070   1.39896
   D62       -2.79389   0.00001   0.00052   0.00000   0.00052  -2.79337
   D63       -0.72396   0.00001   0.00052   0.00008   0.00059  -0.72337
   D64        1.11599  -0.00001   0.00033  -0.00006   0.00026   1.11626
   D65       -0.87534  -0.00001   0.00037   0.00001   0.00037  -0.87496
   D66        3.11094   0.00000   0.00025   0.00007   0.00032   3.11126
   D67       -1.02776   0.00000   0.00037   0.00000   0.00036  -1.02740
   D68       -3.01909   0.00001   0.00041   0.00007   0.00048  -3.01862
   D69        0.96718   0.00001   0.00029   0.00013   0.00042   0.96761
   D70       -3.10758  -0.00001   0.00038   0.00000   0.00038  -3.10720
   D71        1.18427   0.00000   0.00042   0.00007   0.00049   1.18476
   D72       -1.11264   0.00000   0.00030   0.00014   0.00044  -1.11220
   D73       -3.05399  -0.00001   0.00018  -0.00025  -0.00007  -3.05406
   D74        1.10431  -0.00001   0.00020  -0.00020   0.00000   1.10430
   D75       -0.91836   0.00000   0.00021  -0.00020   0.00002  -0.91835
   D76       -0.93492  -0.00001   0.00012  -0.00028  -0.00016  -0.93508
   D77       -3.05980   0.00000   0.00013  -0.00023  -0.00010  -3.05990
   D78        1.20071   0.00000   0.00015  -0.00023  -0.00008   1.20063
   D79        1.12569   0.00000   0.00021  -0.00030  -0.00008   1.12561
   D80       -0.99919   0.00000   0.00023  -0.00024  -0.00002  -0.99921
   D81       -3.02187   0.00001   0.00024  -0.00024   0.00000  -3.02186
   D82        2.94013   0.00003  -0.00065   0.00012  -0.00053   2.93960
   D83       -1.28491   0.00001  -0.00059   0.00011  -0.00048  -1.28539
   D84        0.86629   0.00001  -0.00062  -0.00001  -0.00064   0.86566
   D85       -1.30341   0.00001  -0.00067   0.00000  -0.00067  -1.30408
   D86        0.75474   0.00000  -0.00060  -0.00002  -0.00062   0.75412
   D87        2.90595  -0.00001  -0.00064  -0.00014  -0.00078   2.90517
   D88        0.96283   0.00001  -0.00061  -0.00010  -0.00071   0.96212
   D89        3.02097  -0.00001  -0.00055  -0.00011  -0.00066   3.02032
   D90       -1.11101  -0.00001  -0.00058  -0.00023  -0.00081  -1.11182
   D91        1.08688  -0.00001  -0.00049   0.00013  -0.00036   1.08651
   D92       -3.13454  -0.00001  -0.00045   0.00000  -0.00046  -3.13499
   D93       -1.05241   0.00000  -0.00050   0.00010  -0.00039  -1.05281
   D94       -0.94678   0.00000  -0.00039   0.00015  -0.00023  -0.94702
   D95        1.11499   0.00000  -0.00035   0.00002  -0.00033   1.11466
   D96       -3.08607   0.00000  -0.00039   0.00013  -0.00026  -3.08634
   D97        3.05324   0.00000  -0.00059   0.00025  -0.00034   3.05290
   D98       -1.16817   0.00000  -0.00056   0.00012  -0.00044  -1.16861
   D99        0.91395   0.00000  -0.00060   0.00023  -0.00037   0.91358
   D100      -1.76297   0.00000   0.00071   0.00001   0.00072  -1.76226
   D101       0.40604   0.00000   0.00079  -0.00004   0.00074   0.40678
   D102       2.49030   0.00000   0.00074   0.00000   0.00074   2.49104
   D103       0.32642   0.00000   0.00059  -0.00012   0.00047   0.32688
   D104       2.49543   0.00000   0.00066  -0.00017   0.00049   2.49592
   D105      -1.70349   0.00000   0.00061  -0.00012   0.00049  -1.70300
   D106       2.49552   0.00001   0.00061  -0.00009   0.00052   2.49604
   D107      -1.61865   0.00000   0.00068  -0.00014   0.00054  -1.61811
   D108       0.46561   0.00001   0.00063  -0.00009   0.00054   0.46615
   D109      -2.63174   0.00000   0.00088  -0.00092  -0.00004  -2.63178
   D110       0.49028  -0.00001   0.00042  -0.00107  -0.00065   0.48962
   D111       1.57493   0.00001   0.00099  -0.00066   0.00033   1.57526
   D112      -1.58624  -0.00001   0.00053  -0.00082  -0.00028  -1.58652
   D113      -0.50055   0.00000   0.00095  -0.00076   0.00019  -0.50036
   D114       2.62147  -0.00001   0.00050  -0.00092  -0.00042   2.62104
   D115       0.16025   0.00000  -0.00073   0.00007  -0.00066   0.15959
   D116      -2.00540  -0.00001  -0.00080   0.00003  -0.00077  -2.00618
   D117       2.17257   0.00000  -0.00079   0.00014  -0.00066   2.17192
   D118      -1.94322   0.00000  -0.00074   0.00017  -0.00057  -1.94379
   D119       2.17431   0.00000  -0.00081   0.00013  -0.00068   2.17363
   D120       0.06910   0.00000  -0.00080   0.00024  -0.00057   0.06854
   D121       2.27941  -0.00001  -0.00069   0.00013  -0.00056   2.27885
   D122       0.11375  -0.00001  -0.00077   0.00009  -0.00067   0.11308
   D123      -1.99146   0.00000  -0.00076   0.00020  -0.00055  -1.99201
   D124       1.32433   0.00001   0.00071   0.00003   0.00074   1.32507
   D125      -0.80169   0.00000   0.00048  -0.00009   0.00038  -0.80131
   D126      -2.95325   0.00001   0.00051   0.00001   0.00052  -2.95273
   D127      -2.80301   0.00001   0.00074  -0.00001   0.00073  -2.80228
   D128       1.35415  -0.00001   0.00051  -0.00013   0.00038   1.35453
   D129      -0.79741   0.00000   0.00054  -0.00003   0.00051  -0.79690
   D130      -0.79559   0.00001   0.00077  -0.00004   0.00073  -0.79486
   D131      -2.92161  -0.00001   0.00053  -0.00016   0.00037  -2.92124
   D132       1.21002   0.00000   0.00057  -0.00006   0.00051   1.21052
   D133       0.95387   0.00000   0.00035  -0.00078  -0.00043   0.95344
   D134       3.03511   0.00000   0.00034  -0.00072  -0.00038   3.03473
   D135      -1.14715  -0.00001   0.00037  -0.00093  -0.00056  -1.14771
   D136       3.05584   0.00000   0.00042  -0.00078  -0.00036   3.05548
   D137      -1.14610   0.00001   0.00041  -0.00071  -0.00031  -1.14641
   D138       0.95482   0.00000   0.00043  -0.00092  -0.00049   0.95433
   D139      -1.11874  -0.00001   0.00042  -0.00088  -0.00046  -1.11920
   D140       0.96250   0.00000   0.00041  -0.00082  -0.00041   0.96209
   D141       3.06343  -0.00001   0.00044  -0.00103  -0.00059   3.06284
   D142       0.96894  -0.00001   0.00007  -0.00036  -0.00029   0.96865
   D143      -2.19141  -0.00001   0.00019  -0.00036  -0.00016  -2.19157
   D144      -1.15487   0.00000   0.00014  -0.00019  -0.00005  -1.15492
   D145       1.96797   0.00001   0.00026  -0.00019   0.00007   1.96805
   D146       3.07891  -0.00001   0.00010  -0.00028  -0.00018   3.07873
   D147      -0.08143   0.00000   0.00022  -0.00027  -0.00005  -0.08148
   D148      -0.87951   0.00001  -0.00088   0.00076  -0.00012  -0.87963
   D149       1.21574   0.00000  -0.00089   0.00076  -0.00013   1.21561
   D150      -2.97865   0.00000  -0.00087   0.00063  -0.00024  -2.97889
   D151       1.18919   0.00000  -0.00093   0.00071  -0.00022   1.18898
   D152      -2.99875   0.00000  -0.00094   0.00072  -0.00022  -2.99897
   D153      -0.90995  -0.00001  -0.00092   0.00058  -0.00033  -0.91029
   D154      -2.98635   0.00000  -0.00087   0.00069  -0.00019  -2.98654
   D155      -0.89111   0.00000  -0.00089   0.00069  -0.00019  -0.89130
   D156       1.19769  -0.00001  -0.00086   0.00056  -0.00030   1.19738
   D157       2.16935   0.00000  -0.00032   0.00041   0.00009   2.16944
   D158      -0.99230   0.00000  -0.00038   0.00034  -0.00005  -0.99234
   D159       0.07728   0.00000  -0.00029   0.00031   0.00002   0.07730
   D160      -3.08437   0.00000  -0.00035   0.00024  -0.00011  -3.08449
   D161      -1.97223  -0.00001  -0.00039   0.00035  -0.00004  -1.97228
   D162       1.14930  -0.00001  -0.00046   0.00028  -0.00018   1.14912
   D163       0.91033   0.00000  -0.00043   0.00009  -0.00034   0.90998
   D164      -1.21779   0.00000  -0.00047   0.00011  -0.00036  -1.21815
   D165       3.05654   0.00000  -0.00047   0.00007  -0.00040   3.05613
   D166       3.03610  -0.00001  -0.00048   0.00001  -0.00047   3.03563
   D167       0.90799   0.00000  -0.00052   0.00004  -0.00049   0.90750
   D168      -1.10087  -0.00001  -0.00053  -0.00001  -0.00053  -1.10140
   D169      -1.23451   0.00000  -0.00045   0.00009  -0.00035  -1.23487
   D170       2.92055   0.00001  -0.00049   0.00012  -0.00037   2.92018
   D171       0.91170   0.00000  -0.00049   0.00007  -0.00041   0.91128
   D172      -0.96232   0.00001   0.00034   0.00023   0.00057  -0.96175
   D173       2.19781   0.00001   0.00022   0.00023   0.00045   2.19826
   D174       1.17511   0.00001   0.00040   0.00026   0.00066   1.17577
   D175      -1.94794   0.00000   0.00028   0.00025   0.00053  -1.94741
   D176      -3.09210   0.00001   0.00040   0.00022   0.00062  -3.09148
   D177       0.06803   0.00000   0.00028   0.00022   0.00049   0.06853
   D178       0.02808   0.00000   0.00021  -0.00024  -0.00003   0.02805
   D179      -3.12813   0.00000   0.00001  -0.00017  -0.00016  -3.12830
   D180      -3.13338   0.00001   0.00034  -0.00023   0.00011  -3.13327
   D181      -0.00641   0.00000   0.00014  -0.00016  -0.00002  -0.00643
   D182      -0.26141  -0.00002   0.00044  -0.00091  -0.00047  -0.26188
   D183      -2.31129  -0.00001   0.00040  -0.00071  -0.00031  -2.31160
   D184       1.85761  -0.00001   0.00033  -0.00073  -0.00040   1.85721
   D185       2.89948   0.00000   0.00089  -0.00075   0.00013   2.89961
   D186       0.84959   0.00001   0.00084  -0.00055   0.00030   0.84989
   D187      -1.26468   0.00001   0.00077  -0.00057   0.00020  -1.26448
   D188      -0.01897  -0.00001  -0.00008   0.00015   0.00007  -0.01890
   D189       3.12662   0.00000   0.00001   0.00006   0.00007   3.12669
   D190      -3.13941  -0.00001  -0.00001   0.00023   0.00021  -3.13920
   D191       0.00617   0.00000   0.00008   0.00013   0.00022   0.00639
   D192      -3.10569   0.00002   0.00001   0.00096   0.00097  -3.10472
   D193       0.03627  -0.00001  -0.00058   0.00070   0.00012   0.03639
   D194       0.04942   0.00003   0.00020   0.00089   0.00109   0.05051
   D195      -3.09181   0.00000  -0.00039   0.00064   0.00025  -3.09157
   D196       3.10078  -0.00002  -0.00007  -0.00091  -0.00098   3.09980
   D197      -0.04117   0.00001   0.00051  -0.00065  -0.00014  -0.04132
   D198      -0.04450  -0.00003  -0.00016  -0.00082  -0.00098  -0.04548
   D199       3.09673   0.00001   0.00042  -0.00057  -0.00015   3.09659
         Item               Value     Threshold  Converged?
 Maximum Force            0.000178     0.000450     YES
 RMS     Force            0.000019     0.000300     YES
 Maximum Displacement     0.004784     0.001800     NO 
 RMS     Displacement     0.000818     0.001200     YES
 Predicted change in Energy=-3.864731D-07
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C22H29FO5
 Framework group  C1[X(C22H29FO5)]
 Deg. of freedom   165
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          9           0        1.538087    0.051906   -1.390177
      2          8           0       -3.018240    0.240019   -1.811464
      3          8           0        0.336974   -2.205062    1.135688
      4          8           0       -4.878037   -0.144250    1.044024
      5          8           0       -5.567788   -2.435724   -0.209813
      6          8           0        6.482254   -0.154741   -1.404653
      7          6           0       -1.652394   -0.133170    0.206602
      8          6           0       -0.752072    1.121892   -0.013580
      9          6           0        0.627916    0.925918    0.626534
     10          6           0        1.331334   -0.276893   -0.066253
     11          6           0       -3.009296    0.397235   -0.384886
     12          6           0       -1.626969    2.297793    0.450756
     13          6           0       -1.027101   -1.311467   -0.551989
     14          6           0       -3.077579    1.893924    0.070339
     15          6           0        0.435476   -1.562171   -0.145434
     16          6           0        2.776149   -0.509077    0.512957
     17          6           0        1.470587    2.207184    0.527572
     18          6           0       -1.859950   -0.497601    1.677960
     19          6           0        2.896176    1.998691    1.049677
     20          6           0        3.544913    0.809894    0.398679
     21          6           0       -4.239668   -0.413375    0.052091
     22          6           0       -3.690888    2.802390   -0.986053
     23          6           0        2.765478   -0.901311    2.001890
     24          6           0        3.453003   -1.638400   -0.242920
     25          6           0        4.730453    0.905907   -0.219840
     26          6           0       -4.635792   -1.568103   -0.849591
     27          6           0        4.630686   -1.522302   -0.858465
     28          6           0        5.391955   -0.240319   -0.879049
     29          1           0       -0.601485    1.253905   -1.117582
     30          1           0        0.501105    0.656260    1.706752
     31          1           0       -1.543439    2.461999    1.538525
     32          1           0       -1.324115    3.243843   -0.024740
     33          1           0       -1.094948   -1.145885   -1.646637
     34          1           0       -1.601327   -2.241276   -0.349921
     35          1           0       -3.717909    1.934903    0.990031
     36          1           0        0.896202   -2.289751   -0.857958
     37          1           0        0.981538    3.018522    1.101417
     38          1           0        1.508741    2.565759   -0.521383
     39          1           0       -2.310303    0.313272    2.258620
     40          1           0       -2.503895   -1.379211    1.792670
     41          1           0       -0.905889   -0.770209    2.157003
     42          1           0        2.890894    1.862670    2.152116
     43          1           0        3.490481    2.920887    0.876980
     44          1           0       -4.680645    2.439991   -1.295986
     45          1           0       -3.825311    3.820870   -0.600737
     46          1           0       -3.075078    2.875323   -1.889526
     47          1           0        2.155892   -0.213399    2.602402
     48          1           0        2.358738   -1.910252    2.166940
     49          1           0        3.783227   -0.894189    2.415797
     50          1           0       -2.476688    0.939560   -2.239415
     51          1           0        2.914557   -2.587807   -0.239039
     52          1           0        1.191370   -2.628153    1.386377
     53          1           0        5.282701    1.844742   -0.289733
     54          1           0       -3.778890   -2.220534   -1.111645
     55          1           0       -5.083016   -1.185039   -1.792250
     56          1           0        5.109953   -2.348682   -1.386411
     57          1           0       -6.121043   -1.927039    0.436678
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.4208166      0.1032011      0.0948065
 Standard basis: VSTO-6G (5D, 7F)
 There are   141 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   141 basis functions,   846 primitive gaussians,   141 cartesian basis functions
    77 alpha electrons       77 beta electrons
       nuclear repulsion energy      1659.8897541606 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   141 RedAO= F  NBF=   141
 NBsUse=   141 1.00D-04 NBFU=   141
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=982442.
 SCF Done:  E(RPM6) = -0.418004628582     A.U. after    9 cycles
             Convg  =    0.4751D-08             -V/T =  0.9987
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        9           0.000003100    0.000003465   -0.000013326
      2        8          -0.000000605    0.000010022    0.000001604
      3        8           0.000057007    0.000039375   -0.000023172
      4        8          -0.000014310    0.000000614   -0.000012106
      5        8          -0.000018826   -0.000035536   -0.000092499
      6        8          -0.000002763    0.000001811   -0.000016084
      7        6           0.000007428   -0.000008856   -0.000023073
      8        6          -0.000037947    0.000005943    0.000011210
      9        6           0.000019225    0.000003832    0.000025933
     10        6           0.000020612    0.000008334    0.000009127
     11        6          -0.000025543    0.000006214   -0.000029605
     12        6          -0.000018034    0.000021080   -0.000053687
     13        6          -0.000023948   -0.000023185   -0.000009228
     14        6           0.000032629    0.000027541    0.000040814
     15        6           0.000041459    0.000011020   -0.000002786
     16        6          -0.000007213    0.000004829    0.000009580
     17        6           0.000000840   -0.000002125   -0.000003650
     18        6          -0.000006302   -0.000001414    0.000017735
     19        6          -0.000008248   -0.000005203   -0.000000528
     20        6          -0.000013785    0.000006367   -0.000011210
     21        6           0.000037065    0.000001642    0.000034052
     22        6          -0.000030232    0.000008425   -0.000023960
     23        6           0.000000840    0.000004528    0.000002941
     24        6          -0.000013274   -0.000007970   -0.000007738
     25        6          -0.000002990   -0.000004049   -0.000008489
     26        6           0.000011177   -0.000022888    0.000013933
     27        6          -0.000010140    0.000001271   -0.000008621
     28        6           0.000016361   -0.000001478    0.000020253
     29        1           0.000014240   -0.000007936   -0.000007057
     30        1          -0.000002321    0.000002037   -0.000011077
     31        1          -0.000004800    0.000006048    0.000017193
     32        1           0.000012095   -0.000024041    0.000032736
     33        1          -0.000000536   -0.000000808    0.000012031
     34        1          -0.000004668    0.000009180   -0.000004234
     35        1          -0.000009202   -0.000000251   -0.000017185
     36        1          -0.000001672   -0.000010255   -0.000004545
     37        1           0.000000580   -0.000003422   -0.000003652
     38        1          -0.000000709    0.000000376    0.000000419
     39        1          -0.000005506    0.000004715   -0.000001219
     40        1          -0.000004958   -0.000006725   -0.000000409
     41        1           0.000006384    0.000000611    0.000000720
     42        1           0.000004199    0.000001132    0.000003557
     43        1          -0.000000583   -0.000000140    0.000004351
     44        1           0.000004923   -0.000007322   -0.000005123
     45        1          -0.000004272    0.000000086    0.000000010
     46        1           0.000025907    0.000002814    0.000011276
     47        1           0.000001458   -0.000003634   -0.000000796
     48        1           0.000000686   -0.000002861    0.000002932
     49        1          -0.000000819   -0.000001875    0.000001528
     50        1           0.000001305   -0.000001599    0.000006944
     51        1           0.000001532   -0.000004611    0.000001816
     52        1          -0.000072277   -0.000032919    0.000025524
     53        1           0.000001719    0.000003631    0.000009037
     54        1          -0.000017472   -0.000000822    0.000012635
     55        1           0.000012262   -0.000015507   -0.000013479
     56        1           0.000002456   -0.000000160    0.000009692
     57        1           0.000026466    0.000040648    0.000068954
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000092499 RMS     0.000018618

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.000083417 RMS     0.000009202
 Search for a local minimum.
 Step number  26 out of a maximum of  342
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   19   20   21   22   23
                                                     24   25   26
 DE= -4.94D-07 DEPred=-3.86D-07 R= 1.28D+00
 Trust test= 1.28D+00 RLast= 8.73D-03 DXMaxT set to 1.86D+00
     Eigenvalues ---    0.00109   0.00168   0.00199   0.00253   0.00275
     Eigenvalues ---    0.00340   0.00401   0.00488   0.00518   0.00603
     Eigenvalues ---    0.00661   0.00690   0.00832   0.00947   0.01271
     Eigenvalues ---    0.01393   0.01461   0.01538   0.01691   0.01767
     Eigenvalues ---    0.02095   0.02219   0.02338   0.02366   0.02602
     Eigenvalues ---    0.03057   0.03406   0.03731   0.03781   0.03916
     Eigenvalues ---    0.04076   0.04120   0.04276   0.04440   0.04580
     Eigenvalues ---    0.04690   0.04809   0.04881   0.04938   0.05022
     Eigenvalues ---    0.05077   0.05167   0.05235   0.05296   0.05344
     Eigenvalues ---    0.05359   0.05424   0.05529   0.05541   0.05642
     Eigenvalues ---    0.05795   0.05927   0.06130   0.06280   0.06880
     Eigenvalues ---    0.06900   0.07019   0.07102   0.07150   0.07373
     Eigenvalues ---    0.07758   0.08034   0.08152   0.08314   0.08330
     Eigenvalues ---    0.08369   0.09093   0.09261   0.09454   0.10690
     Eigenvalues ---    0.11262   0.11769   0.12018   0.12917   0.13434
     Eigenvalues ---    0.14130   0.14391   0.14974   0.15146   0.15543
     Eigenvalues ---    0.15871   0.15879   0.15942   0.15999   0.16001
     Eigenvalues ---    0.16005   0.16016   0.16027   0.16065   0.16072
     Eigenvalues ---    0.16211   0.16343   0.16851   0.17030   0.17766
     Eigenvalues ---    0.18844   0.19229   0.19699   0.20065   0.21343
     Eigenvalues ---    0.21455   0.22417   0.22964   0.23486   0.24164
     Eigenvalues ---    0.24939   0.25253   0.25277   0.25803   0.26558
     Eigenvalues ---    0.26613   0.27689   0.27833   0.27927   0.28404
     Eigenvalues ---    0.28879   0.29236   0.29758   0.30114   0.30503
     Eigenvalues ---    0.31083   0.32233   0.32479   0.32702   0.33481
     Eigenvalues ---    0.33633   0.33799   0.33858   0.33916   0.34009
     Eigenvalues ---    0.34068   0.34075   0.34102   0.34119   0.34193
     Eigenvalues ---    0.34210   0.34251   0.34267   0.34314   0.34317
     Eigenvalues ---    0.34361   0.34382   0.34400   0.34480   0.34549
     Eigenvalues ---    0.34700   0.34979   0.35124   0.35385   0.35500
     Eigenvalues ---    0.35646   0.37678   0.39727   0.42639   0.43374
     Eigenvalues ---    0.45515   0.47335   0.48526   0.51509   0.53523
     Eigenvalues ---    0.53921   0.57358   0.58389   0.89146   0.92351
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    26   25   24   23   22
 RFO step:  Lambda=-6.88082674D-08.
 DIIS coeffs:      1.26493     -0.19252     -0.07188     -0.03550      0.03497
 Iteration  1 RMS(Cart)=  0.00073887 RMS(Int)=  0.00000033
 Iteration  2 RMS(Cart)=  0.00000044 RMS(Int)=  0.00000007
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.60729  -0.00001   0.00003  -0.00005  -0.00002   2.60728
    R2        2.71222   0.00001   0.00001   0.00001   0.00002   2.71223
    R3        1.85711   0.00001   0.00003  -0.00001   0.00001   1.85712
    R4        2.71509   0.00000  -0.00002  -0.00001  -0.00003   2.71506
    R5        1.86293  -0.00008  -0.00019  -0.00012  -0.00032   1.86262
    R6        2.28639   0.00002   0.00001  -0.00001   0.00001   2.28640
    R7        2.69291   0.00001   0.00004   0.00003   0.00007   2.69298
    R8        1.87341  -0.00008  -0.00019  -0.00018  -0.00037   1.87303
    R9        2.29299  -0.00001  -0.00001  -0.00001  -0.00001   2.29298
   R10        2.94836  -0.00001  -0.00001   0.00000  -0.00001   2.94835
   R11        2.97136  -0.00002   0.00010  -0.00004   0.00006   2.97143
   R12        2.89987  -0.00001  -0.00003  -0.00003  -0.00007   2.89981
   R13        2.89121  -0.00002  -0.00001  -0.00002  -0.00003   2.89118
   R14        2.89845   0.00001  -0.00003   0.00000  -0.00003   2.89842
   R15        2.90539  -0.00001  -0.00001  -0.00001  -0.00002   2.90537
   R16        2.12031   0.00000   0.00002   0.00000   0.00002   2.12032
   R17        2.94064   0.00000  -0.00001  -0.00003  -0.00003   2.94060
   R18        2.90399   0.00000   0.00002  -0.00001   0.00001   2.90401
   R19        2.11756   0.00001   0.00000   0.00005   0.00005   2.11762
   R20        2.96438   0.00000  -0.00005  -0.00002  -0.00007   2.96431
   R21        2.97407  -0.00003   0.00007  -0.00011  -0.00004   2.97404
   R22        2.95908  -0.00003  -0.00006  -0.00005  -0.00011   2.95897
   R23        2.90419  -0.00005   0.00001  -0.00007  -0.00006   2.90413
   R24        2.93492  -0.00001   0.00001   0.00001   0.00001   2.93494
   R25        2.08486  -0.00002   0.00007  -0.00002   0.00005   2.08491
   R26        2.08113   0.00004  -0.00006   0.00006   0.00000   2.08113
   R27        2.90752   0.00002   0.00000   0.00007   0.00007   2.90759
   R28        2.09604   0.00001  -0.00001   0.00003   0.00002   2.09606
   R29        2.10016   0.00001   0.00004   0.00002   0.00006   2.10022
   R30        2.87674  -0.00001   0.00002  -0.00003  -0.00001   2.87674
   R31        2.11914   0.00002   0.00001   0.00003   0.00004   2.11918
   R32        2.11221  -0.00001   0.00006  -0.00001   0.00005   2.11226
   R33        2.89304   0.00000   0.00000  -0.00003  -0.00003   2.89300
   R34        2.90974  -0.00001   0.00000  -0.00004  -0.00003   2.90970
   R35        2.86893  -0.00002  -0.00002  -0.00009  -0.00011   2.86882
   R36        2.89589  -0.00001  -0.00001  -0.00002  -0.00003   2.89586
   R37        2.09302   0.00000   0.00001   0.00001   0.00002   2.09305
   R38        2.09609   0.00000  -0.00002  -0.00001  -0.00003   2.09607
   R39        2.06793   0.00000  -0.00002   0.00001  -0.00001   2.06793
   R40        2.07445   0.00000   0.00002   0.00001   0.00003   2.07448
   R41        2.08216   0.00001  -0.00002  -0.00001  -0.00003   2.08213
   R42        2.83956   0.00000   0.00000   0.00001   0.00001   2.83957
   R43        2.09913   0.00000   0.00000   0.00000   0.00000   2.09913
   R44        2.09876   0.00000   0.00002   0.00000   0.00002   2.09878
   R45        2.53342   0.00001   0.00000   0.00001   0.00001   2.53344
   R46        2.86799  -0.00004   0.00000  -0.00005  -0.00005   2.86794
   R47        2.07613  -0.00001   0.00003  -0.00003   0.00000   2.07613
   R48        2.07340   0.00000   0.00002   0.00000   0.00002   2.07342
   R49        2.07079   0.00002  -0.00003   0.00007   0.00003   2.07082
   R50        2.07477   0.00000   0.00001   0.00000   0.00001   2.07478
   R51        2.07925   0.00000   0.00000   0.00000   0.00000   2.07925
   R52        2.07628   0.00000  -0.00001  -0.00001  -0.00002   2.07626
   R53        2.52072   0.00000   0.00000   0.00000  -0.00001   2.52072
   R54        2.06258   0.00000   0.00003  -0.00001   0.00002   2.06260
   R55        2.79397   0.00000   0.00001   0.00001   0.00002   2.79399
   R56        2.06255   0.00000  -0.00002  -0.00001  -0.00003   2.06252
   R57        2.09463  -0.00001   0.00000  -0.00002  -0.00002   2.09461
   R58        2.10036  -0.00001  -0.00001  -0.00004  -0.00005   2.10031
   R59        2.81781   0.00000   0.00000  -0.00001   0.00000   2.81780
   R60        2.06260   0.00001  -0.00001   0.00001   0.00000   2.06260
    A1        1.92990   0.00001   0.00002   0.00009   0.00011   1.93000
    A2        1.93839   0.00000   0.00010   0.00001   0.00011   1.93850
    A3        1.92342   0.00000   0.00007   0.00004   0.00011   1.92353
    A4        1.74521   0.00000  -0.00002  -0.00004  -0.00006   1.74515
    A5        1.88891   0.00000  -0.00003   0.00002  -0.00001   1.88890
    A6        1.98844   0.00000  -0.00001   0.00009   0.00009   1.98853
    A7        2.00942   0.00000   0.00001  -0.00006  -0.00004   2.00938
    A8        1.90186   0.00000   0.00000  -0.00002  -0.00002   1.90184
    A9        1.92601   0.00000   0.00004   0.00001   0.00004   1.92605
   A10        1.93640   0.00000  -0.00001   0.00003   0.00002   1.93642
   A11        1.81754  -0.00001   0.00006   0.00000   0.00007   1.81761
   A12        1.88699   0.00001  -0.00002   0.00007   0.00005   1.88704
   A13        2.07564   0.00001  -0.00004   0.00002  -0.00002   2.07562
   A14        1.88065  -0.00001  -0.00003  -0.00010  -0.00012   1.88053
   A15        1.85829   0.00000   0.00003  -0.00002   0.00002   1.85831
   A16        1.89617   0.00000   0.00003   0.00001   0.00005   1.89622
   A17        1.93902   0.00000   0.00003  -0.00003   0.00000   1.93902
   A18        1.90842   0.00000   0.00001   0.00000   0.00001   1.90842
   A19        1.94756   0.00000  -0.00003   0.00001  -0.00002   1.94754
   A20        1.86954   0.00000   0.00001  -0.00001   0.00000   1.86954
   A21        1.90157   0.00000  -0.00005   0.00003  -0.00003   1.90154
   A22        1.88676   0.00000  -0.00003   0.00000  -0.00003   1.88674
   A23        1.80534   0.00000  -0.00007   0.00000  -0.00007   1.80527
   A24        1.82424   0.00000   0.00003  -0.00004  -0.00001   1.82423
   A25        1.97973   0.00000   0.00012   0.00002   0.00014   1.97986
   A26        1.94461   0.00000  -0.00009   0.00004  -0.00005   1.94456
   A27        2.00642   0.00000   0.00003  -0.00003   0.00000   2.00643
   A28        1.92019   0.00000  -0.00008   0.00002  -0.00006   1.92013
   A29        1.97511   0.00000   0.00006   0.00003   0.00009   1.97520
   A30        1.79246   0.00000  -0.00001   0.00006   0.00005   1.79251
   A31        1.82419   0.00000  -0.00003  -0.00003  -0.00006   1.82414
   A32        1.98886   0.00000  -0.00007  -0.00005  -0.00012   1.98875
   A33        1.96771   0.00000   0.00012  -0.00002   0.00010   1.96782
   A34        1.83241   0.00000   0.00004  -0.00004   0.00000   1.83241
   A35        1.94822   0.00000   0.00000   0.00001   0.00001   1.94823
   A36        1.94995   0.00000   0.00000  -0.00004  -0.00004   1.94991
   A37        1.92935   0.00000  -0.00006  -0.00001  -0.00007   1.92928
   A38        1.95464   0.00000  -0.00001  -0.00001  -0.00001   1.95462
   A39        1.85149   0.00000   0.00002   0.00009   0.00011   1.85160
   A40        1.96258   0.00001   0.00003  -0.00003   0.00000   1.96258
   A41        1.92657   0.00000  -0.00001   0.00001   0.00000   1.92657
   A42        1.91983   0.00000   0.00003  -0.00001   0.00002   1.91985
   A43        1.92117   0.00000   0.00000   0.00002   0.00002   1.92119
   A44        1.88262   0.00000  -0.00006  -0.00001  -0.00007   1.88255
   A45        1.84703   0.00000   0.00000   0.00002   0.00002   1.84705
   A46        1.85358   0.00001   0.00001   0.00001   0.00003   1.85361
   A47        1.96734   0.00000   0.00004   0.00004   0.00008   1.96741
   A48        1.87366   0.00000  -0.00005   0.00002  -0.00002   1.87364
   A49        1.97261   0.00000   0.00000  -0.00001  -0.00001   1.97260
   A50        1.89964   0.00000   0.00001  -0.00004  -0.00003   1.89960
   A51        1.89364   0.00000  -0.00002  -0.00002  -0.00004   1.89360
   A52        1.93988   0.00002   0.00021   0.00002   0.00023   1.94011
   A53        1.81662  -0.00001  -0.00011  -0.00005  -0.00016   1.81646
   A54        1.88116   0.00000  -0.00007   0.00007  -0.00001   1.88116
   A55        2.00722  -0.00001   0.00008  -0.00004   0.00004   2.00726
   A56        1.90722   0.00000  -0.00007  -0.00001  -0.00008   1.90714
   A57        1.90652   0.00001  -0.00005   0.00003  -0.00002   1.90650
   A58        1.88223   0.00000  -0.00003   0.00005   0.00002   1.88225
   A59        1.96828   0.00000  -0.00007   0.00000  -0.00007   1.96821
   A60        1.91325  -0.00001   0.00004  -0.00011  -0.00007   1.91318
   A61        1.87039   0.00000   0.00001   0.00002   0.00002   1.87041
   A62        1.96042   0.00000   0.00000   0.00001   0.00001   1.96043
   A63        1.87030   0.00000   0.00005   0.00004   0.00009   1.87039
   A64        1.95492   0.00000   0.00004  -0.00002   0.00002   1.95494
   A65        1.91269   0.00000  -0.00004   0.00003  -0.00002   1.91267
   A66        1.92761   0.00000  -0.00001  -0.00002  -0.00003   1.92758
   A67        1.91124   0.00000  -0.00002   0.00000  -0.00002   1.91122
   A68        1.91153   0.00000   0.00001   0.00000   0.00002   1.91155
   A69        1.84247   0.00000   0.00002   0.00001   0.00003   1.84250
   A70        1.97102   0.00000   0.00000   0.00004   0.00005   1.97107
   A71        1.95128   0.00000   0.00004  -0.00005  -0.00001   1.95127
   A72        1.93862   0.00000  -0.00005   0.00000  -0.00005   1.93857
   A73        1.87364  -0.00001  -0.00006  -0.00010  -0.00017   1.87347
   A74        1.88492   0.00000   0.00007   0.00007   0.00014   1.88506
   A75        1.83776   0.00000   0.00001   0.00004   0.00005   1.83780
   A76        1.94085   0.00000   0.00009   0.00005   0.00014   1.94099
   A77        1.92876   0.00000   0.00001   0.00001   0.00002   1.92878
   A78        1.90906   0.00000  -0.00004  -0.00002  -0.00006   1.90900
   A79        1.91256   0.00000  -0.00005  -0.00004  -0.00008   1.91248
   A80        1.93749   0.00000  -0.00004  -0.00002  -0.00005   1.93743
   A81        1.83231   0.00000   0.00001   0.00001   0.00002   1.83234
   A82        2.01803   0.00000   0.00003   0.00005   0.00008   2.01811
   A83        2.14148   0.00000   0.00000  -0.00002  -0.00002   2.14146
   A84        2.12352   0.00000  -0.00003  -0.00003  -0.00007   2.12346
   A85        2.13909   0.00002  -0.00002   0.00002   0.00000   2.13908
   A86        2.11602   0.00000   0.00009   0.00002   0.00011   2.11614
   A87        2.02789  -0.00002  -0.00007  -0.00004  -0.00011   2.02778
   A88        1.94107   0.00001   0.00000   0.00004   0.00004   1.94110
   A89        1.93865   0.00000  -0.00003   0.00001  -0.00002   1.93863
   A90        1.96649  -0.00002   0.00005  -0.00013  -0.00008   1.96642
   A91        1.87014   0.00000   0.00003  -0.00001   0.00002   1.87016
   A92        1.87092   0.00001   0.00001   0.00008   0.00008   1.87100
   A93        1.87194   0.00001  -0.00006   0.00001  -0.00005   1.87189
   A94        1.95318   0.00000  -0.00002  -0.00002  -0.00004   1.95314
   A95        1.96189   0.00000  -0.00001  -0.00002  -0.00003   1.96186
   A96        1.93501   0.00000   0.00000   0.00001   0.00000   1.93501
   A97        1.86215   0.00000   0.00001   0.00004   0.00006   1.86221
   A98        1.87989   0.00000   0.00004   0.00003   0.00006   1.87995
   A99        1.86696   0.00000  -0.00002  -0.00003  -0.00005   1.86692
   A100       2.16353   0.00000   0.00001   0.00001   0.00001   2.16354
   A101       2.01013   0.00000   0.00001   0.00000   0.00001   2.01015
   A102       2.10935   0.00000  -0.00002  -0.00001  -0.00003   2.10932
   A103       2.14818   0.00000  -0.00001   0.00000  -0.00001   2.14817
   A104       2.13956   0.00001   0.00002   0.00004   0.00005   2.13961
   A105       1.99536  -0.00001  -0.00001  -0.00004  -0.00004   1.99532
   A106       1.94680  -0.00002   0.00002  -0.00008  -0.00005   1.94675
   A107       1.82697   0.00000  -0.00005  -0.00006  -0.00012   1.82685
   A108       1.90440   0.00002   0.00001   0.00014   0.00015   1.90455
   A109       1.96766   0.00001  -0.00001   0.00009   0.00009   1.96774
   A110       1.92483  -0.00001   0.00000  -0.00006  -0.00006   1.92477
   A111       1.88958   0.00000   0.00003  -0.00003   0.00000   1.88958
   A112       2.13169   0.00000  -0.00001  -0.00001  -0.00002   2.13167
   A113       2.14716   0.00000  -0.00001   0.00002   0.00001   2.14717
   A114       2.00433  -0.00001   0.00002  -0.00001   0.00001   2.00434
   A115       2.14180   0.00000  -0.00001   0.00001  -0.00001   2.14180
   A116       2.12393   0.00000   0.00001   0.00002   0.00003   2.12396
   A117       2.01745  -0.00001   0.00001  -0.00003  -0.00002   2.01743
    D1       -1.35085   0.00000  -0.00177   0.00088  -0.00089  -1.35174
    D2        0.68237   0.00000  -0.00182   0.00087  -0.00095   0.68142
    D3        2.80877   0.00000  -0.00165   0.00089  -0.00075   2.80802
    D4       -1.23622   0.00000   0.00117  -0.00037   0.00080  -1.23542
    D5        2.87656   0.00000   0.00103  -0.00030   0.00073   2.87728
    D6        0.85330   0.00000   0.00116  -0.00033   0.00083   0.85413
    D7        0.51658   0.00001   0.00030   0.00146   0.00176   0.51834
    D8        2.64950   0.00002   0.00026   0.00149   0.00176   2.65126
    D9       -1.61433   0.00002   0.00027   0.00149   0.00176  -1.61257
   D10        3.03459   0.00001  -0.00012   0.00013   0.00001   3.03460
   D11        0.78160   0.00000  -0.00011   0.00008  -0.00003   0.78158
   D12       -1.18990   0.00000  -0.00017   0.00007  -0.00010  -1.18999
   D13       -1.14024   0.00000  -0.00013   0.00005  -0.00008  -1.14032
   D14        2.88996   0.00000  -0.00012   0.00001  -0.00011   2.88985
   D15        0.91846   0.00000  -0.00017  -0.00001  -0.00018   0.91828
   D16        1.00899   0.00001  -0.00010   0.00014   0.00003   1.00902
   D17       -1.24399   0.00000  -0.00009   0.00009   0.00000  -1.24400
   D18        3.06769   0.00000  -0.00015   0.00008  -0.00007   3.06762
   D19        1.45385   0.00000  -0.00009  -0.00013  -0.00022   1.45363
   D20       -0.67184   0.00000  -0.00010  -0.00016  -0.00026  -0.67209
   D21       -2.82740   0.00000  -0.00020  -0.00008  -0.00027  -2.82767
   D22       -0.56527   0.00000  -0.00005  -0.00010  -0.00016  -0.56543
   D23       -2.69096   0.00000  -0.00006  -0.00013  -0.00019  -2.69115
   D24        1.43666   0.00000  -0.00016  -0.00005  -0.00021   1.43645
   D25       -2.73947   0.00001  -0.00011  -0.00005  -0.00016  -2.73963
   D26        1.41803   0.00000  -0.00012  -0.00008  -0.00020   1.41783
   D27       -0.73753   0.00000  -0.00022   0.00000  -0.00022  -0.73775
   D28        0.96536   0.00000   0.00001   0.00004   0.00004   0.96541
   D29       -1.18746   0.00000  -0.00002   0.00003   0.00002  -1.18744
   D30        3.06392   0.00000  -0.00003   0.00000  -0.00003   3.06389
   D31        2.90044   0.00000  -0.00003  -0.00003  -0.00006   2.90038
   D32        0.74762   0.00000  -0.00005  -0.00004  -0.00009   0.74753
   D33       -1.28419   0.00000  -0.00007  -0.00007  -0.00013  -1.28432
   D34       -1.22124   0.00000   0.00001  -0.00010  -0.00008  -1.22133
   D35        2.90912   0.00000  -0.00001  -0.00010  -0.00011   2.90901
   D36        0.87731   0.00000  -0.00003  -0.00013  -0.00016   0.87716
   D37        1.01837   0.00000  -0.00051   0.00050  -0.00001   1.01836
   D38        3.13366   0.00000  -0.00056   0.00035  -0.00021   3.13345
   D39       -1.10229   0.00000  -0.00055   0.00037  -0.00019  -1.10248
   D40       -0.91350   0.00000  -0.00048   0.00051   0.00003  -0.91346
   D41        1.20179   0.00000  -0.00053   0.00037  -0.00016   1.20162
   D42       -3.03416   0.00000  -0.00053   0.00038  -0.00014  -3.03431
   D43       -3.13592   0.00000  -0.00052   0.00059   0.00007  -3.13584
   D44       -1.02063   0.00000  -0.00057   0.00045  -0.00012  -1.02076
   D45        1.02661   0.00000  -0.00057   0.00046  -0.00011   1.02650
   D46        1.08600   0.00000  -0.00006  -0.00009  -0.00015   1.08586
   D47       -3.04838   0.00000  -0.00005  -0.00009  -0.00014  -3.04853
   D48       -0.94892   0.00000  -0.00009  -0.00008  -0.00018  -0.94909
   D49       -3.09079   0.00000  -0.00001  -0.00004  -0.00005  -3.09084
   D50       -0.94199   0.00000   0.00000  -0.00005  -0.00005  -0.94204
   D51        1.15748   0.00000  -0.00005  -0.00004  -0.00008   1.15740
   D52       -0.97654   0.00000  -0.00002  -0.00013  -0.00015  -0.97669
   D53        1.17226   0.00000  -0.00001  -0.00014  -0.00015   1.17211
   D54       -3.01146   0.00000  -0.00005  -0.00013  -0.00018  -3.01164
   D55       -0.59305   0.00000   0.00026   0.00004   0.00030  -0.59274
   D56        1.49781   0.00000   0.00022   0.00001   0.00023   1.49803
   D57       -2.71537   0.00000   0.00025   0.00010   0.00034  -2.71503
   D58       -2.75873   0.00000   0.00025  -0.00002   0.00023  -2.75850
   D59       -0.66787   0.00000   0.00020  -0.00005   0.00016  -0.66772
   D60        1.40213   0.00000   0.00023   0.00004   0.00027   1.40240
   D61        1.39896   0.00001   0.00029   0.00011   0.00040   1.39936
   D62       -2.79337   0.00000   0.00024   0.00008   0.00032  -2.79305
   D63       -0.72337   0.00001   0.00027   0.00017   0.00044  -0.72293
   D64        1.11626   0.00000   0.00028   0.00001   0.00030   1.11656
   D65       -0.87496   0.00000   0.00032   0.00000   0.00032  -0.87464
   D66        3.11126   0.00000   0.00025  -0.00001   0.00025   3.11151
   D67       -1.02740   0.00000   0.00025   0.00004   0.00028  -1.02711
   D68       -3.01862   0.00000   0.00028   0.00003   0.00031  -3.01831
   D69        0.96761   0.00000   0.00022   0.00002   0.00023   0.96784
   D70       -3.10720   0.00000   0.00032   0.00001   0.00033  -3.10687
   D71        1.18476   0.00000   0.00036   0.00000   0.00035   1.18512
   D72       -1.11220   0.00000   0.00029  -0.00001   0.00028  -1.11192
   D73       -3.05406   0.00000  -0.00002   0.00000  -0.00002  -3.05409
   D74        1.10430   0.00000   0.00001  -0.00001  -0.00001   1.10430
   D75       -0.91835   0.00000   0.00002  -0.00003  -0.00001  -0.91835
   D76       -0.93508   0.00000   0.00002   0.00000   0.00002  -0.93506
   D77       -3.05990   0.00000   0.00005  -0.00001   0.00004  -3.05987
   D78        1.20063   0.00000   0.00006  -0.00003   0.00003   1.20067
   D79        1.12561   0.00000  -0.00001   0.00000  -0.00001   1.12559
   D80       -0.99921   0.00000   0.00001  -0.00001   0.00001  -0.99921
   D81       -3.02186   0.00000   0.00002  -0.00002   0.00000  -3.02186
   D82        2.93960   0.00000  -0.00048   0.00016  -0.00032   2.93927
   D83       -1.28539   0.00000  -0.00042   0.00008  -0.00034  -1.28573
   D84        0.86566   0.00000  -0.00048   0.00007  -0.00041   0.86525
   D85       -1.30408   0.00001  -0.00050   0.00017  -0.00033  -1.30441
   D86        0.75412   0.00000  -0.00043   0.00009  -0.00035   0.75377
   D87        2.90517   0.00000  -0.00050   0.00008  -0.00041   2.90476
   D88        0.96212   0.00001  -0.00049   0.00021  -0.00028   0.96184
   D89        3.02032   0.00000  -0.00042   0.00013  -0.00029   3.02002
   D90       -1.11182   0.00000  -0.00049   0.00013  -0.00036  -1.11218
   D91        1.08651   0.00000  -0.00029   0.00008  -0.00020   1.08631
   D92       -3.13499   0.00000  -0.00034   0.00013  -0.00021  -3.13520
   D93       -1.05281   0.00000  -0.00030   0.00011  -0.00019  -1.05299
   D94       -0.94702   0.00000  -0.00023   0.00008  -0.00014  -0.94716
   D95        1.11466   0.00000  -0.00028   0.00013  -0.00015   1.11451
   D96       -3.08634   0.00000  -0.00024   0.00011  -0.00013  -3.08646
   D97        3.05290   0.00000  -0.00034   0.00005  -0.00029   3.05261
   D98       -1.16861   0.00000  -0.00039   0.00010  -0.00029  -1.16890
   D99        0.91358   0.00000  -0.00035   0.00008  -0.00027   0.91331
   D100      -1.76226   0.00000   0.00036   0.00017   0.00053  -1.76173
   D101       0.40678   0.00000   0.00039   0.00019   0.00058   0.40737
   D102       2.49104   0.00000   0.00037   0.00020   0.00057   2.49161
   D103       0.32688   0.00000   0.00028   0.00019   0.00046   0.32735
   D104       2.49592   0.00000   0.00031   0.00021   0.00052   2.49644
   D105      -1.70300   0.00000   0.00028   0.00022   0.00050  -1.70250
   D106       2.49604   0.00000   0.00025   0.00009   0.00034   2.49638
   D107      -1.61811   0.00000   0.00028   0.00011   0.00039  -1.61771
   D108       0.46615   0.00000   0.00026   0.00012   0.00038   0.46653
   D109      -2.63178   0.00000  -0.00008  -0.00096  -0.00104  -2.63282
   D110       0.48962  -0.00001  -0.00008  -0.00104  -0.00112   0.48851
   D111       1.57526   0.00000   0.00006  -0.00099  -0.00093   1.57433
   D112      -1.58652   0.00000   0.00006  -0.00107  -0.00101  -1.58753
   D113      -0.50036   0.00000   0.00005  -0.00090  -0.00085  -0.50121
   D114       2.62104   0.00000   0.00005  -0.00098  -0.00093   2.62011
   D115       0.15959   0.00000  -0.00034  -0.00014  -0.00048   0.15911
   D116      -2.00618   0.00000  -0.00040  -0.00019  -0.00059  -2.00677
   D117       2.17192   0.00000  -0.00039  -0.00012  -0.00051   2.17140
   D118      -1.94379   0.00000  -0.00033  -0.00012  -0.00046  -1.94424
   D119       2.17363   0.00000  -0.00039  -0.00017  -0.00056   2.17307
   D120       0.06854   0.00000  -0.00038  -0.00011  -0.00049   0.06805
   D121       2.27885  -0.00001  -0.00032  -0.00022  -0.00054   2.27831
   D122       0.11308  -0.00001  -0.00038  -0.00027  -0.00065   0.11244
   D123      -1.99201  -0.00001  -0.00036  -0.00021  -0.00057  -1.99258
   D124       1.32507   0.00001   0.00050  -0.00014   0.00036   1.32543
   D125      -0.80131   0.00000   0.00027  -0.00010   0.00017  -0.80114
   D126      -2.95273   0.00000   0.00034  -0.00008   0.00026  -2.95247
   D127      -2.80228   0.00001   0.00051  -0.00013   0.00038  -2.80190
   D128       1.35453   0.00000   0.00028  -0.00010   0.00018   1.35471
   D129      -0.79690   0.00000   0.00035  -0.00007   0.00028  -0.79661
   D130      -0.79486   0.00000   0.00048  -0.00010   0.00038  -0.79448
   D131      -2.92124   0.00000   0.00025  -0.00006   0.00019  -2.92105
   D132       1.21052   0.00000   0.00032  -0.00004   0.00028   1.21081
   D133       0.95344   0.00000  -0.00014  -0.00018  -0.00032   0.95312
   D134       3.03473   0.00000  -0.00012  -0.00016  -0.00028   3.03445
   D135      -1.14771   0.00000  -0.00018  -0.00022  -0.00040  -1.14811
   D136       3.05548   0.00000  -0.00009  -0.00014  -0.00024   3.05525
   D137      -1.14641   0.00000  -0.00008  -0.00012  -0.00020  -1.14661
   D138       0.95433   0.00000  -0.00013  -0.00018  -0.00032   0.95402
   D139      -1.11920   0.00000  -0.00009  -0.00022  -0.00031  -1.11951
   D140       0.96209   0.00000  -0.00008  -0.00019  -0.00027   0.96182
   D141       3.06284   0.00000  -0.00013  -0.00026  -0.00039   3.06244
   D142       0.96865   0.00000  -0.00001  -0.00019  -0.00020   0.96845
   D143      -2.19157   0.00000  -0.00002  -0.00029  -0.00031  -2.19188
   D144      -1.15492   0.00000   0.00008  -0.00022  -0.00014  -1.15506
   D145       1.96805   0.00000   0.00008  -0.00032  -0.00025   1.96780
   D146       3.07873   0.00000   0.00001  -0.00029  -0.00027   3.07846
   D147      -0.08148   0.00000   0.00001  -0.00039  -0.00038  -0.08186
   D148      -0.87963   0.00000  -0.00027   0.00022  -0.00004  -0.87968
   D149       1.21561   0.00000  -0.00027   0.00025  -0.00002   1.21559
   D150      -2.97889   0.00000  -0.00030   0.00020  -0.00010  -2.97899
   D151       1.18898   0.00000  -0.00034   0.00029  -0.00005   1.18893
   D152      -2.99897   0.00000  -0.00034   0.00032  -0.00002  -2.99899
   D153      -0.91029   0.00000  -0.00038   0.00027  -0.00010  -0.91039
   D154      -2.98654   0.00000  -0.00031   0.00033   0.00003  -2.98652
   D155      -0.89130   0.00000  -0.00031   0.00036   0.00005  -0.89125
   D156       1.19738   0.00000  -0.00034   0.00031  -0.00003   1.19735
   D157       2.16944   0.00000  -0.00004   0.00037   0.00032   2.16977
   D158      -0.99234   0.00000  -0.00009   0.00047   0.00038  -0.99196
   D159       0.07730   0.00000  -0.00004   0.00037   0.00034   0.07764
   D160      -3.08449   0.00000  -0.00009   0.00048   0.00040  -3.08409
   D161      -1.97228   0.00000  -0.00008   0.00033   0.00025  -1.97203
   D162       1.14912   0.00000  -0.00013   0.00043   0.00031   1.14943
   D163       0.90998   0.00000  -0.00026  -0.00007  -0.00034   0.90965
   D164      -1.21815   0.00000  -0.00027  -0.00007  -0.00034  -1.21849
   D165       3.05613   0.00000  -0.00027  -0.00008  -0.00035   3.05578
   D166       3.03563   0.00000  -0.00030  -0.00005  -0.00035   3.03528
   D167       0.90750   0.00000  -0.00031  -0.00005  -0.00036   0.90714
   D168      -1.10140   0.00000  -0.00031  -0.00005  -0.00037  -1.10177
   D169      -1.23487   0.00000  -0.00028  -0.00004  -0.00032  -1.23519
   D170       2.92018   0.00000  -0.00029  -0.00004  -0.00033   2.91985
   D171       0.91128   0.00000  -0.00029  -0.00004  -0.00034   0.91094
   D172      -0.96175   0.00000   0.00026   0.00017   0.00043  -0.96132
   D173       2.19826   0.00000   0.00026   0.00027   0.00054   2.19879
   D174       1.17577   0.00000   0.00030   0.00020   0.00049   1.17627
   D175      -1.94741   0.00000   0.00030   0.00030   0.00060  -1.94681
   D176      -3.09148   0.00000   0.00026   0.00018   0.00044  -3.09104
   D177       0.06853   0.00000   0.00027   0.00028   0.00055   0.06907
   D178       0.02805   0.00000   0.00002  -0.00012  -0.00010   0.02795
   D179      -3.12830   0.00000  -0.00001  -0.00007  -0.00008  -3.12838
   D180      -3.13327   0.00000   0.00001  -0.00023  -0.00022  -3.13349
   D181      -0.00643   0.00000  -0.00002  -0.00018  -0.00020  -0.00663
   D182      -0.26188  -0.00001  -0.00009  -0.00093  -0.00102  -0.26290
   D183      -2.31160   0.00000  -0.00003  -0.00086  -0.00089  -2.31250
   D184       1.85721   0.00000  -0.00007  -0.00084  -0.00090   1.85631
   D185       2.89961  -0.00001  -0.00009  -0.00085  -0.00094   2.89867
   D186       0.84989   0.00000  -0.00003  -0.00078  -0.00081   0.84908
   D187      -1.26448   0.00000  -0.00007  -0.00076  -0.00082  -1.26530
   D188      -0.01890   0.00000   0.00004   0.00015   0.00018  -0.01871
   D189       3.12669   0.00000   0.00003   0.00015   0.00018   3.12687
   D190      -3.13920   0.00000   0.00009   0.00003   0.00012  -3.13908
   D191       0.00639   0.00000   0.00008   0.00004   0.00012   0.00651
   D192      -3.10472   0.00001   0.00022   0.00069   0.00092  -3.10381
   D193       0.03639   0.00000  -0.00002   0.00064   0.00062   0.03701
   D194       0.05051   0.00001   0.00025   0.00065   0.00090   0.05141
   D195      -3.09157   0.00000   0.00001   0.00060   0.00060  -3.09096
   D196       3.09980  -0.00001  -0.00025  -0.00071  -0.00095   3.09885
   D197      -0.04132   0.00000  -0.00001  -0.00065  -0.00066  -0.04198
   D198      -0.04548  -0.00001  -0.00024  -0.00071  -0.00095  -0.04643
   D199       3.09659   0.00000   0.00000  -0.00066  -0.00066   3.09593
         Item               Value     Threshold  Converged?
 Maximum Force            0.000083     0.000450     YES
 RMS     Force            0.000009     0.000300     YES
 Maximum Displacement     0.005240     0.001800     NO 
 RMS     Displacement     0.000739     0.001200     YES
 Predicted change in Energy=-1.567354D-07
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C22H29FO5
 Framework group  C1[X(C22H29FO5)]
 Deg. of freedom   165
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          9           0        1.538089    0.051827   -1.390446
      2          8           0       -3.018390    0.239893   -1.811250
      3          8           0        0.337083   -2.205135    1.135465
      4          8           0       -4.877270   -0.145345    1.044987
      5          8           0       -5.566885   -2.436480   -0.209933
      6          8           0        6.483147   -0.155936   -1.402963
      7          6           0       -1.652390   -0.133097    0.206723
      8          6           0       -0.752227    1.121995   -0.013887
      9          6           0        0.627895    0.926314    0.625996
     10          6           0        1.331274   -0.276682   -0.066470
     11          6           0       -3.009431    0.397156   -0.384669
     12          6           0       -1.627081    2.297976    0.450293
     13          6           0       -1.027194   -1.311435   -0.551813
     14          6           0       -3.077799    1.893763    0.070621
     15          6           0        0.435519   -1.561993   -0.145518
     16          6           0        2.776051   -0.508690    0.512853
     17          6           0        1.470480    2.207596    0.526408
     18          6           0       -1.859749   -0.497310    1.678147
     19          6           0        2.896173    1.999406    1.048298
     20          6           0        3.544890    0.810173    0.398062
     21          6           0       -4.239533   -0.413731    0.052444
     22          6           0       -3.691918    2.802203   -0.985318
     23          6           0        2.765224   -0.900298    2.001931
     24          6           0        3.452764   -1.638305   -0.242598
     25          6           0        4.730617    0.905766   -0.220175
     26          6           0       -4.636191   -1.567628   -0.850021
     27          6           0        4.630603   -1.522652   -0.857924
     28          6           0        5.392292   -0.240919   -0.878433
     29          1           0       -0.601730    1.253777   -1.117938
     30          1           0        0.501333    0.657051    1.706371
     31          1           0       -1.543205    2.462616    1.537995
     32          1           0       -1.324527    3.243835   -0.025778
     33          1           0       -1.095306   -1.146030   -1.646482
     34          1           0       -1.601276   -2.241304   -0.349441
     35          1           0       -3.717634    1.934545    0.990692
     36          1           0        0.896214   -2.289454   -0.858226
     37          1           0        0.981488    3.019105    1.100081
     38          1           0        1.508378    2.565771   -0.522678
     39          1           0       -2.310100    0.313586    2.258769
     40          1           0       -2.503779   -1.378849    1.793061
     41          1           0       -0.905625   -0.769928    2.157027
     42          1           0        2.891178    1.864141    2.150832
     43          1           0        3.490427    2.921494    0.874788
     44          1           0       -4.681649    2.439483   -1.294959
     45          1           0       -3.826576    3.820555   -0.599712
     46          1           0       -3.076398    2.875615   -1.888970
     47          1           0        2.155655   -0.212043    2.602076
     48          1           0        2.358382   -1.909139    2.167337
     49          1           0        3.782939   -0.893168    2.415897
     50          1           0       -2.477617    0.939933   -2.239385
     51          1           0        2.914063   -2.587579   -0.238676
     52          1           0        1.191521   -2.627597    1.386416
     53          1           0        5.282937    1.844506   -0.290540
     54          1           0       -3.779361   -2.219399   -1.113893
     55          1           0       -5.084740   -1.183681   -1.791660
     56          1           0        5.109698   -2.349226   -1.385721
     57          1           0       -6.120583   -1.928697    0.436585
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.4208401      0.1032021      0.0948030
 Standard basis: VSTO-6G (5D, 7F)
 There are   141 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   141 basis functions,   846 primitive gaussians,   141 cartesian basis functions
    77 alpha electrons       77 beta electrons
       nuclear repulsion energy      1659.8923603994 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   141 RedAO= F  NBF=   141
 NBsUse=   141 1.00D-04 NBFU=   141
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=982442.
 SCF Done:  E(RPM6) = -0.418004839709     A.U. after    9 cycles
             Convg  =    0.8857D-08             -V/T =  0.9987
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        9           0.000002586   -0.000000893    0.000004286
      2        8          -0.000002898   -0.000000013    0.000008725
      3        8           0.000014665    0.000006934   -0.000013408
      4        8          -0.000009357    0.000005852   -0.000001663
      5        8           0.000035166   -0.000005341   -0.000030648
      6        8          -0.000001500    0.000000848   -0.000000426
      7        6          -0.000005227   -0.000026745   -0.000005756
      8        6          -0.000020958    0.000003732    0.000014754
      9        6           0.000015077    0.000004497   -0.000005253
     10        6           0.000016996   -0.000002147    0.000005651
     11        6           0.000004617    0.000015486   -0.000026189
     12        6          -0.000028135    0.000026013   -0.000066478
     13        6          -0.000006539   -0.000000807   -0.000004165
     14        6           0.000016294    0.000008330    0.000030842
     15        6           0.000000922    0.000025074    0.000019652
     16        6          -0.000020587   -0.000012528    0.000001793
     17        6          -0.000008111    0.000002651   -0.000009270
     18        6          -0.000005584    0.000003450    0.000016226
     19        6           0.000001612   -0.000002150   -0.000001469
     20        6          -0.000002914   -0.000010547   -0.000006864
     21        6           0.000015635   -0.000018720    0.000018524
     22        6          -0.000020354    0.000006613   -0.000015237
     23        6           0.000002985    0.000010826   -0.000002781
     24        6           0.000002806    0.000022367    0.000002239
     25        6          -0.000009593    0.000006470    0.000003889
     26        6          -0.000021971    0.000009657   -0.000006239
     27        6          -0.000007443    0.000000432    0.000005123
     28        6           0.000019508   -0.000000791   -0.000010390
     29        1           0.000002411   -0.000002833   -0.000005959
     30        1          -0.000003073   -0.000000208    0.000000919
     31        1          -0.000000706    0.000004290    0.000031532
     32        1           0.000012194   -0.000025769    0.000024885
     33        1           0.000000964    0.000000077    0.000005914
     34        1          -0.000000389   -0.000001836    0.000000147
     35        1          -0.000005579    0.000002984   -0.000012455
     36        1          -0.000007304   -0.000010173   -0.000012745
     37        1           0.000002284   -0.000001079    0.000000245
     38        1           0.000000837   -0.000004152    0.000005656
     39        1           0.000003401   -0.000001125   -0.000002016
     40        1           0.000001847   -0.000003925    0.000000365
     41        1           0.000006095   -0.000000137   -0.000006074
     42        1           0.000002334   -0.000000129    0.000002065
     43        1          -0.000000120    0.000000192    0.000000223
     44        1           0.000009714   -0.000009768   -0.000004916
     45        1          -0.000006142    0.000004834    0.000001594
     46        1           0.000015179    0.000003922    0.000010898
     47        1           0.000004715   -0.000000048   -0.000004804
     48        1          -0.000002885   -0.000004136   -0.000000778
     49        1           0.000002495   -0.000006340   -0.000002802
     50        1          -0.000000963    0.000002761   -0.000007877
     51        1           0.000004400   -0.000004267    0.000001530
     52        1          -0.000014204   -0.000004659    0.000005404
     53        1           0.000003291   -0.000003537    0.000004143
     54        1          -0.000010378    0.000001925    0.000013321
     55        1           0.000005718   -0.000011713   -0.000006211
     56        1           0.000004554    0.000000659    0.000005283
     57        1          -0.000008384   -0.000004357    0.000027049
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000066478 RMS     0.000012028

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.000036788 RMS     0.000005622
 Search for a local minimum.
 Step number  27 out of a maximum of  342
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   19   20   21   22   23
                                                     24   25   26   27
 DE= -2.11D-07 DEPred=-1.57D-07 R= 1.35D+00
 Trust test= 1.35D+00 RLast= 6.66D-03 DXMaxT set to 1.86D+00
     Eigenvalues ---    0.00107   0.00170   0.00198   0.00231   0.00272
     Eigenvalues ---    0.00294   0.00402   0.00480   0.00516   0.00572
     Eigenvalues ---    0.00610   0.00683   0.00793   0.00843   0.01264
     Eigenvalues ---    0.01392   0.01473   0.01533   0.01690   0.01767
     Eigenvalues ---    0.02095   0.02226   0.02338   0.02374   0.02596
     Eigenvalues ---    0.03058   0.03412   0.03734   0.03788   0.03911
     Eigenvalues ---    0.04114   0.04150   0.04280   0.04427   0.04578
     Eigenvalues ---    0.04697   0.04770   0.04871   0.05019   0.05041
     Eigenvalues ---    0.05086   0.05182   0.05235   0.05298   0.05357
     Eigenvalues ---    0.05366   0.05426   0.05527   0.05544   0.05645
     Eigenvalues ---    0.05795   0.05958   0.06138   0.06281   0.06880
     Eigenvalues ---    0.06904   0.07021   0.07138   0.07280   0.07393
     Eigenvalues ---    0.07771   0.08045   0.08218   0.08321   0.08337
     Eigenvalues ---    0.08389   0.09129   0.09264   0.09430   0.10710
     Eigenvalues ---    0.11252   0.11775   0.12027   0.12907   0.13551
     Eigenvalues ---    0.13819   0.14436   0.14947   0.15167   0.15655
     Eigenvalues ---    0.15765   0.15922   0.15956   0.15984   0.16001
     Eigenvalues ---    0.16007   0.16024   0.16033   0.16068   0.16073
     Eigenvalues ---    0.16212   0.16514   0.16844   0.17064   0.17823
     Eigenvalues ---    0.19016   0.19226   0.19790   0.20141   0.21337
     Eigenvalues ---    0.21574   0.22424   0.22945   0.23774   0.24052
     Eigenvalues ---    0.24936   0.25192   0.25280   0.26166   0.26530
     Eigenvalues ---    0.26678   0.27685   0.27849   0.27924   0.28490
     Eigenvalues ---    0.28849   0.29239   0.29821   0.30290   0.30897
     Eigenvalues ---    0.31224   0.32121   0.32359   0.32989   0.33464
     Eigenvalues ---    0.33546   0.33805   0.33860   0.33915   0.34016
     Eigenvalues ---    0.34067   0.34080   0.34105   0.34127   0.34165
     Eigenvalues ---    0.34221   0.34241   0.34259   0.34313   0.34317
     Eigenvalues ---    0.34345   0.34365   0.34392   0.34521   0.34681
     Eigenvalues ---    0.34729   0.34939   0.35133   0.35390   0.35526
     Eigenvalues ---    0.35715   0.38732   0.39348   0.42715   0.44900
     Eigenvalues ---    0.45158   0.47222   0.48578   0.51544   0.53525
     Eigenvalues ---    0.53789   0.57441   0.58595   0.89323   0.92430
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    27   26   25   24   23
 RFO step:  Lambda=-3.24849096D-08.
 DIIS coeffs:      1.60245     -0.56958     -0.04250      0.00121      0.00842
 Iteration  1 RMS(Cart)=  0.00078654 RMS(Int)=  0.00000061
 Iteration  2 RMS(Cart)=  0.00000083 RMS(Int)=  0.00000002
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.60728   0.00000  -0.00001   0.00001   0.00000   2.60727
    R2        2.71223   0.00000   0.00001   0.00001   0.00003   2.71226
    R3        1.85712  -0.00001   0.00001  -0.00002  -0.00001   1.85711
    R4        2.71506   0.00001  -0.00002   0.00001  -0.00001   2.71505
    R5        1.86262  -0.00002  -0.00021  -0.00003  -0.00024   1.86238
    R6        2.28640   0.00000   0.00001   0.00000   0.00001   2.28641
    R7        2.69298  -0.00002   0.00005  -0.00003   0.00001   2.69299
    R8        1.87303  -0.00001  -0.00023  -0.00008  -0.00031   1.87272
    R9        2.29298   0.00000  -0.00001   0.00000  -0.00001   2.29297
   R10        2.94835  -0.00001  -0.00001  -0.00004  -0.00005   2.94829
   R11        2.97143  -0.00001   0.00005   0.00005   0.00010   2.97152
   R12        2.89981   0.00000  -0.00004   0.00004   0.00000   2.89981
   R13        2.89118  -0.00001  -0.00001   0.00000  -0.00001   2.89117
   R14        2.89842   0.00002  -0.00003   0.00004   0.00002   2.89844
   R15        2.90537   0.00000  -0.00001   0.00002   0.00001   2.90538
   R16        2.12032  -0.00001   0.00001  -0.00001   0.00000   2.12032
   R17        2.94060   0.00001  -0.00003   0.00003   0.00000   2.94061
   R18        2.90401   0.00000   0.00000  -0.00002  -0.00001   2.90399
   R19        2.11762   0.00000   0.00003   0.00002   0.00005   2.11767
   R20        2.96431   0.00002  -0.00005   0.00006   0.00001   2.96433
   R21        2.97404   0.00000  -0.00002   0.00008   0.00006   2.97410
   R22        2.95897  -0.00002  -0.00007  -0.00001  -0.00008   2.95889
   R23        2.90413  -0.00002  -0.00004  -0.00001  -0.00005   2.90408
   R24        2.93494  -0.00001   0.00001   0.00000   0.00001   2.93495
   R25        2.08491  -0.00003   0.00003  -0.00006  -0.00003   2.08487
   R26        2.08113   0.00004   0.00001   0.00006   0.00007   2.08120
   R27        2.90759   0.00001   0.00004   0.00002   0.00006   2.90765
   R28        2.09606   0.00001   0.00001   0.00000   0.00002   2.09608
   R29        2.10022   0.00000   0.00004  -0.00001   0.00003   2.10025
   R30        2.87674  -0.00001   0.00000   0.00001   0.00001   2.87675
   R31        2.11918   0.00001   0.00003   0.00003   0.00006   2.11924
   R32        2.11226  -0.00002   0.00003  -0.00005  -0.00003   2.11224
   R33        2.89300   0.00001  -0.00002   0.00003   0.00001   2.89301
   R34        2.90970   0.00001  -0.00002   0.00004   0.00002   2.90972
   R35        2.86882   0.00002  -0.00006   0.00009   0.00003   2.86885
   R36        2.89586   0.00000  -0.00002  -0.00001  -0.00003   2.89583
   R37        2.09305   0.00000   0.00001   0.00000   0.00001   2.09306
   R38        2.09607   0.00001  -0.00002   0.00001  -0.00001   2.09606
   R39        2.06793   0.00000  -0.00001   0.00001   0.00000   2.06793
   R40        2.07448   0.00000   0.00002   0.00001   0.00002   2.07450
   R41        2.08213   0.00001  -0.00001   0.00000  -0.00001   2.08212
   R42        2.83957   0.00000   0.00001   0.00000   0.00001   2.83958
   R43        2.09913   0.00000   0.00000   0.00000   0.00000   2.09913
   R44        2.09878   0.00000   0.00001   0.00000   0.00001   2.09879
   R45        2.53344   0.00000   0.00001   0.00001   0.00001   2.53345
   R46        2.86794  -0.00001  -0.00003   0.00003  -0.00001   2.86794
   R47        2.07613  -0.00001   0.00000  -0.00004  -0.00003   2.07610
   R48        2.07342   0.00000   0.00001  -0.00001   0.00001   2.07343
   R49        2.07082   0.00002   0.00002   0.00004   0.00006   2.07088
   R50        2.07478   0.00000   0.00001   0.00000   0.00001   2.07479
   R51        2.07925   0.00000   0.00000   0.00000   0.00000   2.07924
   R52        2.07626   0.00000  -0.00001   0.00000  -0.00001   2.07625
   R53        2.52072   0.00001   0.00000   0.00001   0.00000   2.52072
   R54        2.06260  -0.00001   0.00001   0.00000   0.00001   2.06261
   R55        2.79399   0.00000   0.00001   0.00002   0.00003   2.79401
   R56        2.06252   0.00001  -0.00002   0.00001  -0.00001   2.06251
   R57        2.09461   0.00000  -0.00002   0.00000  -0.00001   2.09459
   R58        2.10031   0.00000  -0.00003  -0.00003  -0.00006   2.10025
   R59        2.81780   0.00001   0.00000   0.00001   0.00001   2.81781
   R60        2.06260   0.00000   0.00000   0.00001   0.00001   2.06261
    A1        1.93000  -0.00001   0.00006   0.00000   0.00006   1.93006
    A2        1.93850   0.00000   0.00007  -0.00001   0.00005   1.93855
    A3        1.92353  -0.00001   0.00007  -0.00003   0.00004   1.92357
    A4        1.74515   0.00000  -0.00004   0.00002  -0.00001   1.74514
    A5        1.88890   0.00000  -0.00001  -0.00001  -0.00003   1.88887
    A6        1.98853   0.00000   0.00005  -0.00007  -0.00002   1.98851
    A7        2.00938   0.00000  -0.00003   0.00000  -0.00003   2.00934
    A8        1.90184   0.00000  -0.00001   0.00006   0.00005   1.90189
    A9        1.92605   0.00000   0.00003   0.00000   0.00003   1.92608
   A10        1.93642   0.00000   0.00001  -0.00005  -0.00004   1.93638
   A11        1.81761   0.00000   0.00005  -0.00003   0.00003   1.81764
   A12        1.88704   0.00000   0.00004   0.00003   0.00007   1.88712
   A13        2.07562   0.00001  -0.00001   0.00003   0.00001   2.07563
   A14        1.88053   0.00000  -0.00009   0.00001  -0.00009   1.88044
   A15        1.85831   0.00000   0.00001   0.00001   0.00003   1.85833
   A16        1.89622   0.00000   0.00003   0.00002   0.00005   1.89627
   A17        1.93902   0.00000  -0.00001   0.00000  -0.00001   1.93901
   A18        1.90842   0.00000   0.00001  -0.00004  -0.00004   1.90839
   A19        1.94754   0.00000  -0.00001   0.00003   0.00002   1.94756
   A20        1.86954   0.00000   0.00001  -0.00003  -0.00002   1.86952
   A21        1.90154   0.00000  -0.00002   0.00001  -0.00001   1.90154
   A22        1.88674   0.00000  -0.00002   0.00002   0.00000   1.88673
   A23        1.80527   0.00000  -0.00005   0.00006   0.00001   1.80528
   A24        1.82423   0.00000   0.00000   0.00002   0.00003   1.82426
   A25        1.97986  -0.00001   0.00009  -0.00011  -0.00002   1.97984
   A26        1.94456   0.00000  -0.00004   0.00005   0.00001   1.94456
   A27        2.00643   0.00001   0.00001  -0.00002  -0.00001   2.00642
   A28        1.92013   0.00000  -0.00005   0.00003  -0.00002   1.92011
   A29        1.97520   0.00000   0.00005  -0.00006  -0.00001   1.97519
   A30        1.79251   0.00000   0.00002   0.00001   0.00003   1.79254
   A31        1.82414   0.00000  -0.00004   0.00000  -0.00004   1.82410
   A32        1.98875   0.00001  -0.00006   0.00007   0.00001   1.98875
   A33        1.96782  -0.00001   0.00007  -0.00004   0.00003   1.96785
   A34        1.83241   0.00000   0.00000   0.00000   0.00000   1.83241
   A35        1.94823   0.00000   0.00001   0.00002   0.00003   1.94826
   A36        1.94991   0.00000  -0.00004  -0.00005  -0.00009   1.94982
   A37        1.92928   0.00000  -0.00004   0.00003  -0.00001   1.92928
   A38        1.95462   0.00000  -0.00001  -0.00003  -0.00004   1.95458
   A39        1.85160   0.00000   0.00007   0.00003   0.00010   1.85170
   A40        1.96258   0.00000   0.00000  -0.00001   0.00000   1.96258
   A41        1.92657   0.00000   0.00000   0.00001   0.00001   1.92659
   A42        1.91985   0.00000   0.00002   0.00001   0.00003   1.91988
   A43        1.92119   0.00000   0.00001  -0.00002  -0.00001   1.92118
   A44        1.88255   0.00000  -0.00005   0.00001  -0.00004   1.88251
   A45        1.84705   0.00000   0.00002  -0.00001   0.00001   1.84706
   A46        1.85361   0.00000   0.00002   0.00000   0.00002   1.85363
   A47        1.96741   0.00000   0.00005   0.00000   0.00005   1.96746
   A48        1.87364   0.00000  -0.00002  -0.00002  -0.00004   1.87359
   A49        1.97260   0.00000  -0.00001   0.00001   0.00001   1.97261
   A50        1.89960   0.00000  -0.00002  -0.00002  -0.00005   1.89956
   A51        1.89360   0.00000  -0.00003   0.00003   0.00000   1.89360
   A52        1.94011   0.00000   0.00016  -0.00009   0.00007   1.94018
   A53        1.81646   0.00000  -0.00011   0.00005  -0.00006   1.81640
   A54        1.88116   0.00000  -0.00001   0.00001   0.00001   1.88116
   A55        2.00726   0.00000   0.00003  -0.00003   0.00000   2.00726
   A56        1.90714   0.00000  -0.00005   0.00003  -0.00002   1.90712
   A57        1.90650   0.00000  -0.00002   0.00003   0.00002   1.90652
   A58        1.88225   0.00000   0.00001   0.00006   0.00007   1.88231
   A59        1.96821   0.00001  -0.00004   0.00002  -0.00002   1.96818
   A60        1.91318   0.00000  -0.00004   0.00000  -0.00004   1.91314
   A61        1.87041   0.00000   0.00001  -0.00007  -0.00006   1.87035
   A62        1.96043   0.00000   0.00001  -0.00003  -0.00002   1.96041
   A63        1.87039   0.00000   0.00005   0.00001   0.00007   1.87046
   A64        1.95494   0.00000   0.00002  -0.00002   0.00000   1.95494
   A65        1.91267   0.00000  -0.00002   0.00002   0.00000   1.91267
   A66        1.92758   0.00000  -0.00002   0.00002   0.00000   1.92758
   A67        1.91122   0.00000  -0.00001  -0.00001  -0.00002   1.91120
   A68        1.91155   0.00000   0.00001   0.00000   0.00001   1.91156
   A69        1.84250   0.00000   0.00002  -0.00001   0.00001   1.84250
   A70        1.97107   0.00000   0.00003   0.00002   0.00005   1.97112
   A71        1.95127   0.00000   0.00000   0.00000   0.00000   1.95127
   A72        1.93857   0.00000  -0.00003   0.00000  -0.00003   1.93854
   A73        1.87347   0.00000  -0.00011  -0.00003  -0.00013   1.87334
   A74        1.88506   0.00000   0.00008  -0.00001   0.00007   1.88513
   A75        1.83780   0.00000   0.00003   0.00002   0.00004   1.83785
   A76        1.94099   0.00000   0.00009   0.00003   0.00013   1.94112
   A77        1.92878   0.00000   0.00001   0.00000   0.00001   1.92879
   A78        1.90900   0.00000  -0.00004   0.00001  -0.00003   1.90897
   A79        1.91248   0.00000  -0.00005  -0.00003  -0.00008   1.91239
   A80        1.93743   0.00000  -0.00004   0.00000  -0.00004   1.93740
   A81        1.83234   0.00000   0.00002  -0.00001   0.00001   1.83235
   A82        2.01811   0.00000   0.00006   0.00004   0.00010   2.01821
   A83        2.14146   0.00000  -0.00001  -0.00002  -0.00003   2.14142
   A84        2.12346   0.00000  -0.00004  -0.00002  -0.00007   2.12339
   A85        2.13908   0.00001   0.00001   0.00000   0.00001   2.13909
   A86        2.11614  -0.00001   0.00006   0.00001   0.00007   2.11621
   A87        2.02778   0.00000  -0.00007  -0.00001  -0.00008   2.02771
   A88        1.94110   0.00000   0.00003   0.00003   0.00006   1.94116
   A89        1.93863   0.00000  -0.00001   0.00002   0.00001   1.93865
   A90        1.96642  -0.00001  -0.00005  -0.00004  -0.00009   1.96633
   A91        1.87016  -0.00001   0.00001  -0.00003  -0.00002   1.87014
   A92        1.87100   0.00000   0.00006   0.00002   0.00007   1.87107
   A93        1.87189   0.00000  -0.00003   0.00001  -0.00002   1.87187
   A94        1.95314   0.00001  -0.00002   0.00000  -0.00003   1.95312
   A95        1.96186   0.00000  -0.00002   0.00000  -0.00001   1.96185
   A96        1.93501   0.00000   0.00000   0.00001   0.00001   1.93502
   A97        1.86221   0.00000   0.00003   0.00001   0.00004   1.86225
   A98        1.87995  -0.00001   0.00003  -0.00001   0.00002   1.87997
   A99        1.86692   0.00000  -0.00002  -0.00001  -0.00003   1.86688
   A100       2.16354   0.00000   0.00001  -0.00001   0.00000   2.16355
   A101       2.01015   0.00000   0.00001   0.00002   0.00003   2.01017
   A102       2.10932   0.00000  -0.00002  -0.00001  -0.00003   2.10929
   A103       2.14817   0.00001  -0.00001   0.00002   0.00002   2.14819
   A104       2.13961   0.00000   0.00004   0.00000   0.00004   2.13965
   A105       1.99532  -0.00001  -0.00003  -0.00003  -0.00006   1.99526
   A106       1.94675  -0.00002  -0.00003  -0.00008  -0.00011   1.94664
   A107       1.82685   0.00000  -0.00008  -0.00006  -0.00014   1.82672
   A108       1.90455   0.00002   0.00010   0.00015   0.00025   1.90480
   A109       1.96774   0.00001   0.00006   0.00007   0.00013   1.96788
   A110       1.92477  -0.00001  -0.00004  -0.00004  -0.00008   1.92469
   A111       1.88958   0.00000  -0.00001  -0.00004  -0.00005   1.88953
   A112       2.13167   0.00000  -0.00001   0.00000  -0.00002   2.13165
   A113       2.14717   0.00000   0.00001   0.00003   0.00003   2.14721
   A114       2.00434  -0.00001   0.00000  -0.00002  -0.00002   2.00432
   A115       2.14180   0.00000   0.00000   0.00001   0.00001   2.14180
   A116       2.12396   0.00000   0.00002   0.00001   0.00002   2.12398
   A117       2.01743   0.00000  -0.00001  -0.00002  -0.00003   2.01740
    D1       -1.35174   0.00000  -0.00064   0.00041  -0.00023  -1.35197
    D2        0.68142   0.00000  -0.00069   0.00039  -0.00030   0.68112
    D3        2.80802  -0.00001  -0.00056   0.00031  -0.00025   2.80777
    D4       -1.23542   0.00000   0.00056  -0.00078  -0.00022  -1.23564
    D5        2.87728   0.00000   0.00051  -0.00072  -0.00021   2.87707
    D6        0.85413   0.00000   0.00058  -0.00078  -0.00020   0.85393
    D7        0.51834   0.00001   0.00107   0.00180   0.00286   0.52120
    D8        2.65126   0.00002   0.00107   0.00180   0.00287   2.65413
    D9       -1.61257   0.00002   0.00107   0.00179   0.00286  -1.60971
   D10        3.03460   0.00001  -0.00001   0.00000  -0.00002   3.03458
   D11        0.78158   0.00000  -0.00004   0.00001  -0.00003   0.78155
   D12       -1.18999   0.00000  -0.00009  -0.00001  -0.00010  -1.19009
   D13       -1.14032   0.00000  -0.00007   0.00000  -0.00007  -1.14039
   D14        2.88985   0.00000  -0.00009   0.00001  -0.00008   2.88977
   D15        0.91828   0.00000  -0.00015   0.00000  -0.00016   0.91812
   D16        1.00902   0.00000   0.00000  -0.00006  -0.00006   1.00896
   D17       -1.24400   0.00000  -0.00003  -0.00005  -0.00007  -1.24407
   D18        3.06762   0.00000  -0.00009  -0.00006  -0.00015   3.06747
   D19        1.45363   0.00000  -0.00014   0.00001  -0.00014   1.45349
   D20       -0.67209   0.00000  -0.00016   0.00007  -0.00009  -0.67218
   D21       -2.82767   0.00000  -0.00019   0.00008  -0.00011  -2.82779
   D22       -0.56543   0.00000  -0.00009   0.00001  -0.00008  -0.56551
   D23       -2.69115   0.00000  -0.00011   0.00007  -0.00004  -2.69119
   D24        1.43645   0.00000  -0.00014   0.00008  -0.00006   1.43640
   D25       -2.73963   0.00000  -0.00010  -0.00004  -0.00014  -2.73977
   D26        1.41783   0.00000  -0.00012   0.00002  -0.00010   1.41774
   D27       -0.73775   0.00000  -0.00015   0.00003  -0.00012  -0.73787
   D28        0.96541   0.00000   0.00003   0.00006   0.00008   0.96549
   D29       -1.18744   0.00000   0.00001   0.00007   0.00009  -1.18736
   D30        3.06389   0.00000  -0.00002   0.00007   0.00005   3.06395
   D31        2.90038   0.00000  -0.00005   0.00008   0.00003   2.90041
   D32        0.74753   0.00000  -0.00006   0.00009   0.00003   0.74756
   D33       -1.28432   0.00000  -0.00009   0.00009   0.00000  -1.28432
   D34       -1.22133   0.00000  -0.00005   0.00015   0.00010  -1.22122
   D35        2.90901   0.00000  -0.00007   0.00017   0.00011   2.90911
   D36        0.87716   0.00000  -0.00010   0.00017   0.00007   0.87723
   D37        1.01836   0.00000  -0.00010   0.00051   0.00041   1.01877
   D38        3.13345   0.00000  -0.00021   0.00049   0.00028   3.13373
   D39       -1.10248   0.00000  -0.00020   0.00051   0.00031  -1.10217
   D40       -0.91346   0.00000  -0.00007   0.00048   0.00040  -0.91306
   D41        1.20162   0.00000  -0.00019   0.00046   0.00027   1.20190
   D42       -3.03431   0.00000  -0.00018   0.00048   0.00031  -3.03400
   D43       -3.13584   0.00000  -0.00005   0.00044   0.00039  -3.13546
   D44       -1.02076   0.00000  -0.00017   0.00042   0.00025  -1.02050
   D45        1.02650   0.00000  -0.00015   0.00044   0.00029   1.02679
   D46        1.08586   0.00000  -0.00007   0.00010   0.00003   1.08589
   D47       -3.04853   0.00000  -0.00008   0.00016   0.00009  -3.04844
   D48       -0.94909   0.00000  -0.00010   0.00015   0.00005  -0.94904
   D49       -3.09084   0.00000   0.00000   0.00005   0.00004  -3.09079
   D50       -0.94204   0.00000  -0.00001   0.00011   0.00010  -0.94194
   D51        1.15740   0.00000  -0.00003   0.00010   0.00007   1.15746
   D52       -0.97669   0.00000  -0.00007   0.00009   0.00002  -0.97668
   D53        1.17211   0.00000  -0.00008   0.00015   0.00007   1.17218
   D54       -3.01164   0.00000  -0.00010   0.00014   0.00004  -3.01160
   D55       -0.59274   0.00000   0.00022  -0.00009   0.00013  -0.59262
   D56        1.49803   0.00000   0.00018  -0.00005   0.00014   1.49817
   D57       -2.71503   0.00000   0.00026  -0.00003   0.00022  -2.71481
   D58       -2.75850   0.00000   0.00017  -0.00002   0.00015  -2.75835
   D59       -0.66772   0.00000   0.00013   0.00002   0.00016  -0.66756
   D60        1.40240   0.00000   0.00021   0.00003   0.00024   1.40264
   D61        1.39936   0.00000   0.00030  -0.00006   0.00023   1.39959
   D62       -2.79305   0.00000   0.00026  -0.00002   0.00024  -2.79281
   D63       -0.72293   0.00000   0.00033  -0.00001   0.00033  -0.72260
   D64        1.11656   0.00000   0.00019  -0.00014   0.00005   1.11661
   D65       -0.87464   0.00000   0.00021  -0.00016   0.00005  -0.87459
   D66        3.11151   0.00000   0.00016  -0.00007   0.00008   3.11159
   D67       -1.02711   0.00000   0.00019  -0.00018   0.00001  -1.02710
   D68       -3.01831   0.00000   0.00021  -0.00020   0.00001  -3.01830
   D69        0.96784   0.00000   0.00016  -0.00012   0.00004   0.96788
   D70       -3.10687   0.00000   0.00021  -0.00019   0.00002  -3.10685
   D71        1.18512   0.00000   0.00024  -0.00021   0.00002   1.18514
   D72       -1.11192   0.00000   0.00018  -0.00013   0.00005  -1.11187
   D73       -3.05409   0.00000   0.00000  -0.00008  -0.00009  -3.05417
   D74        1.10430   0.00000   0.00001  -0.00007  -0.00007   1.10423
   D75       -0.91835   0.00000   0.00001  -0.00008  -0.00007  -0.91843
   D76       -0.93506   0.00000   0.00001  -0.00003  -0.00001  -0.93508
   D77       -3.05987   0.00000   0.00003  -0.00002   0.00001  -3.05986
   D78        1.20067   0.00000   0.00003  -0.00002   0.00000   1.20067
   D79        1.12559   0.00000   0.00000  -0.00004  -0.00003   1.12556
   D80       -0.99921   0.00000   0.00002  -0.00003  -0.00001  -0.99922
   D81       -3.02186   0.00000   0.00002  -0.00003  -0.00002  -3.02188
   D82        2.93927   0.00000  -0.00023   0.00018  -0.00004   2.93923
   D83       -1.28573   0.00000  -0.00024   0.00016  -0.00008  -1.28581
   D84        0.86525   0.00000  -0.00028   0.00020  -0.00008   0.86517
   D85       -1.30441   0.00000  -0.00024   0.00018  -0.00005  -1.30446
   D86        0.75377   0.00000  -0.00025   0.00016  -0.00009   0.75368
   D87        2.90476   0.00000  -0.00029   0.00021  -0.00009   2.90467
   D88        0.96184   0.00000  -0.00021   0.00013  -0.00008   0.96177
   D89        3.02002   0.00000  -0.00022   0.00010  -0.00011   3.01991
   D90       -1.11218   0.00000  -0.00026   0.00015  -0.00011  -1.11229
   D91        1.08631   0.00000  -0.00015   0.00030   0.00014   1.08645
   D92       -3.13520   0.00000  -0.00016   0.00026   0.00011  -3.13510
   D93       -1.05299   0.00000  -0.00014   0.00029   0.00015  -1.05285
   D94       -0.94716   0.00000  -0.00011   0.00024   0.00013  -0.94703
   D95        1.11451   0.00000  -0.00011   0.00021   0.00009   1.11461
   D96       -3.08646   0.00000  -0.00010   0.00023   0.00013  -3.08633
   D97        3.05261   0.00000  -0.00020   0.00037   0.00017   3.05278
   D98       -1.16890   0.00000  -0.00021   0.00034   0.00013  -1.16877
   D99        0.91331   0.00000  -0.00019   0.00036   0.00017   0.91348
   D100      -1.76173   0.00000   0.00036  -0.00013   0.00023  -1.76150
   D101       0.40737   0.00000   0.00040  -0.00011   0.00028   0.40765
   D102       2.49161   0.00000   0.00038  -0.00010   0.00029   2.49190
   D103       0.32735   0.00000   0.00031  -0.00014   0.00017   0.32752
   D104       2.49644   0.00000   0.00035  -0.00012   0.00023   2.49667
   D105      -1.70250   0.00000   0.00033  -0.00010   0.00023  -1.70227
   D106       2.49638   0.00001   0.00025  -0.00008   0.00017   2.49656
   D107      -1.61771   0.00001   0.00029  -0.00006   0.00023  -1.61748
   D108       0.46653   0.00001   0.00028  -0.00004   0.00023   0.46677
   D109      -2.63282   0.00000  -0.00058  -0.00083  -0.00141  -2.63423
   D110       0.48851   0.00000  -0.00064  -0.00078  -0.00142   0.48708
   D111       1.57433   0.00000  -0.00050  -0.00090  -0.00141   1.57292
   D112      -1.58753   0.00000  -0.00056  -0.00085  -0.00142  -1.58895
   D113      -0.50121   0.00000  -0.00047  -0.00092  -0.00139  -0.50260
   D114       2.62011   0.00000  -0.00053  -0.00087  -0.00140   2.61871
   D115       0.15911   0.00000  -0.00033   0.00013  -0.00020   0.15891
   D116      -2.00677   0.00001  -0.00041   0.00012  -0.00028  -2.00705
   D117       2.17140   0.00000  -0.00036   0.00010  -0.00026   2.17115
   D118      -1.94424   0.00000  -0.00033   0.00010  -0.00023  -1.94448
   D119       2.17307   0.00000  -0.00040   0.00009  -0.00032   2.17275
   D120       0.06805   0.00000  -0.00035   0.00006  -0.00029   0.06776
   D121       2.27831   0.00000  -0.00039   0.00006  -0.00033   2.27798
   D122       0.11244   0.00000  -0.00046   0.00005  -0.00041   0.11203
   D123      -1.99258   0.00000  -0.00041   0.00002  -0.00038  -1.99296
   D124       1.32543   0.00000   0.00027  -0.00023   0.00004   1.32547
   D125      -0.80114   0.00000   0.00013  -0.00013   0.00000  -0.80114
   D126      -2.95247   0.00000   0.00019  -0.00017   0.00002  -2.95245
   D127      -2.80190   0.00000   0.00028  -0.00023   0.00005  -2.80185
   D128       1.35471   0.00000   0.00014  -0.00013   0.00001   1.35472
   D129      -0.79661   0.00000   0.00021  -0.00017   0.00003  -0.79658
   D130      -0.79448   0.00000   0.00027  -0.00024   0.00003  -0.79445
   D131      -2.92105   0.00000   0.00014  -0.00015  -0.00001  -2.92106
   D132       1.21081   0.00000   0.00020  -0.00019   0.00001   1.21082
   D133       0.95312   0.00000  -0.00021  -0.00034  -0.00055   0.95257
   D134       3.03445   0.00000  -0.00018  -0.00035  -0.00053   3.03392
   D135      -1.14811   0.00000  -0.00026  -0.00036  -0.00062  -1.14873
   D136       3.05525   0.00000  -0.00015  -0.00033  -0.00047   3.05477
   D137      -1.14661   0.00000  -0.00012  -0.00034  -0.00046  -1.14707
   D138       0.95402   0.00000  -0.00020  -0.00034  -0.00054   0.95347
   D139      -1.11951   0.00000  -0.00020  -0.00033  -0.00053  -1.12004
   D140       0.96182   0.00000  -0.00017  -0.00034  -0.00051   0.96131
   D141       3.06244   0.00000  -0.00025  -0.00034  -0.00059   3.06185
   D142       0.96845   0.00000  -0.00013  -0.00022  -0.00034   0.96810
   D143      -2.19188   0.00000  -0.00018  -0.00040  -0.00058  -2.19246
   D144      -1.15506   0.00000  -0.00009  -0.00023  -0.00032  -1.15538
   D145       1.96780   0.00000  -0.00014  -0.00042  -0.00056   1.96724
   D146       3.07846   0.00000  -0.00016  -0.00020  -0.00036   3.07810
   D147      -0.08186   0.00000  -0.00022  -0.00038  -0.00059  -0.08245
   D148      -0.87968   0.00000  -0.00013   0.00026   0.00013  -0.87954
   D149       1.21559   0.00000  -0.00012   0.00028   0.00016   1.21575
   D150      -2.97899   0.00000  -0.00016   0.00027   0.00012  -2.97887
   D151       1.18893   0.00000  -0.00014   0.00031   0.00017   1.18909
   D152      -2.99899   0.00000  -0.00012   0.00032   0.00020  -2.99880
   D153      -0.91039   0.00000  -0.00016   0.00032   0.00015  -0.91024
   D154      -2.98652   0.00000  -0.00009   0.00025   0.00015  -2.98636
   D155      -0.89125   0.00000  -0.00008   0.00026   0.00018  -0.89107
   D156       1.19735   0.00000  -0.00012   0.00026   0.00014   1.19749
   D157       2.16977   0.00000   0.00018   0.00046   0.00064   2.17041
   D158      -0.99196   0.00000   0.00021   0.00046   0.00066  -0.99130
   D159       0.07764   0.00000   0.00019   0.00040   0.00059   0.07823
   D160      -3.08409   0.00000   0.00022   0.00040   0.00061  -3.08348
   D161      -1.97203   0.00001   0.00014   0.00049   0.00063  -1.97140
   D162       1.14943   0.00001   0.00017   0.00048   0.00065   1.15008
   D163       0.90965   0.00000  -0.00023   0.00006  -0.00017   0.90948
   D164      -1.21849   0.00000  -0.00024   0.00008  -0.00016  -1.21866
   D165       3.05578   0.00000  -0.00024   0.00009  -0.00016   3.05562
   D166       3.03528   0.00000  -0.00025   0.00006  -0.00018   3.03510
   D167       0.90714   0.00000  -0.00025   0.00008  -0.00017   0.90696
   D168      -1.10177   0.00000  -0.00026   0.00009  -0.00017  -1.10194
   D169      -1.23519   0.00000  -0.00022   0.00004  -0.00018  -1.23537
   D170       2.91985   0.00000  -0.00023   0.00006  -0.00017   2.91968
   D171       0.91094   0.00000  -0.00024   0.00007  -0.00017   0.91078
   D172      -0.96132   0.00000   0.00029   0.00006   0.00035  -0.96097
   D173       2.19879   0.00000   0.00034   0.00024   0.00058   2.19938
   D174       1.17627   0.00000   0.00033   0.00006   0.00039   1.17666
   D175      -1.94681   0.00000   0.00039   0.00024   0.00062  -1.94618
   D176      -3.09104   0.00000   0.00030   0.00003   0.00033  -3.09071
   D177       0.06907   0.00000   0.00035   0.00021   0.00056   0.06964
   D178       0.02795   0.00000  -0.00005  -0.00015  -0.00020   0.02774
   D179      -3.12838   0.00000  -0.00005  -0.00001  -0.00006  -3.12844
   D180      -3.13349   0.00000  -0.00011  -0.00034  -0.00045  -3.13394
   D181      -0.00663   0.00000  -0.00011  -0.00020  -0.00031  -0.00694
   D182      -0.26290  -0.00001  -0.00061  -0.00102  -0.00163  -0.26453
   D183      -2.31250   0.00000  -0.00053  -0.00094  -0.00146  -2.31396
   D184       1.85631   0.00000  -0.00053  -0.00091  -0.00144   1.85487
   D185       2.89867  -0.00001  -0.00054  -0.00107  -0.00162   2.89706
   D186       0.84908   0.00000  -0.00047  -0.00098  -0.00145   0.84762
   D187      -1.26530   0.00000  -0.00047  -0.00096  -0.00143  -1.26673
   D188      -0.01871   0.00000   0.00011   0.00010   0.00021  -0.01850
   D189       3.12687   0.00000   0.00011   0.00003   0.00014   3.12701
   D190      -3.13908   0.00000   0.00008   0.00011   0.00019  -3.13889
   D191       0.00651   0.00000   0.00008   0.00004   0.00012   0.00663
   D192      -3.10381   0.00000   0.00055   0.00066   0.00121  -3.10260
   D193       0.03701   0.00001   0.00035   0.00065   0.00101   0.03801
   D194       0.05141   0.00000   0.00055   0.00053   0.00108   0.05249
   D195      -3.09096   0.00000   0.00035   0.00052   0.00087  -3.09009
   D196       3.09885   0.00000  -0.00058  -0.00063  -0.00121   3.09764
   D197      -0.04198  -0.00001  -0.00038  -0.00063  -0.00101  -0.04298
   D198      -0.04643   0.00000  -0.00058  -0.00057  -0.00115  -0.04758
   D199       3.09593   0.00000  -0.00038  -0.00057  -0.00094   3.09498
         Item               Value     Threshold  Converged?
 Maximum Force            0.000037     0.000450     YES
 RMS     Force            0.000006     0.000300     YES
 Maximum Displacement     0.006476     0.001800     NO 
 RMS     Displacement     0.000787     0.001200     YES
 Predicted change in Energy=-1.198411D-07
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C22H29FO5
 Framework group  C1[X(C22H29FO5)]
 Deg. of freedom   165
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          9           0        1.537856    0.051778   -1.390922
      2          8           0       -3.018812    0.239773   -1.811003
      3          8           0        0.337156   -2.205061    1.135293
      4          8           0       -4.876401   -0.146368    1.046321
      5          8           0       -5.566177   -2.437012   -0.209740
      6          8           0        6.484644   -0.156497   -1.400569
      7          6           0       -1.652458   -0.133073    0.206804
      8          6           0       -0.752416    1.122008   -0.014156
      9          6           0        0.627827    0.926432    0.625519
     10          6           0        1.331186   -0.276608   -0.066893
     11          6           0       -3.009679    0.397071   -0.384413
     12          6           0       -1.627220    2.298045    0.449995
     13          6           0       -1.027372   -1.311442   -0.551772
     14          6           0       -3.078024    1.893652    0.070822
     15          6           0        0.435445   -1.561952   -0.145711
     16          6           0        2.776043   -0.508540    0.512352
     17          6           0        1.470319    2.207750    0.525721
     18          6           0       -1.859434   -0.497111    1.678319
     19          6           0        2.896060    1.999712    1.047498
     20          6           0        3.544872    0.810338    0.397606
     21          6           0       -4.239635   -0.413875    0.052912
     22          6           0       -3.692650    2.802038   -0.984875
     23          6           0        2.765292   -0.900148    2.001441
     24          6           0        3.452748   -1.638096   -0.243222
     25          6           0        4.730883    0.905801   -0.220120
     26          6           0       -4.637399   -1.566620   -0.850532
     27          6           0        4.630862   -1.522561   -0.858047
     28          6           0        5.393021   -0.241088   -0.877589
     29          1           0       -0.602014    1.253650   -1.118235
     30          1           0        0.501409    0.657252    1.705961
     31          1           0       -1.543066    2.462974    1.537613
     32          1           0       -1.324841    3.243782   -0.026519
     33          1           0       -1.095670   -1.146113   -1.646450
     34          1           0       -1.601369   -2.241348   -0.349237
     35          1           0       -3.717522    1.934364    0.991169
     36          1           0        0.896047   -2.289419   -0.858452
     37          1           0        0.981338    3.019286    1.099375
     38          1           0        1.508082    2.565822   -0.523401
     39          1           0       -2.310050    0.313661    2.258910
     40          1           0       -2.503178   -1.378840    1.793497
     41          1           0       -0.905121   -0.769315    2.157045
     42          1           0        2.891203    1.864729    2.150065
     43          1           0        3.490255    2.921783    0.873671
     44          1           0       -4.682225    2.438977   -1.294553
     45          1           0       -3.827746    3.820254   -0.599052
     46          1           0       -3.077113    2.875928   -1.888516
     47          1           0        2.155594   -0.211980    2.601564
     48          1           0        2.358654   -1.909070    2.166833
     49          1           0        3.783002   -0.892853    2.415406
     50          1           0       -2.478346    0.939949   -2.239287
     51          1           0        2.913796   -2.587235   -0.239868
     52          1           0        1.191436   -2.627640    1.386084
     53          1           0        5.283218    1.844521   -0.290540
     54          1           0       -3.780811   -2.217576   -1.117154
     55          1           0       -5.087966   -1.181427   -1.790660
     56          1           0        5.109905   -2.349037   -1.386055
     57          1           0       -6.120516   -1.930160    0.436705
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.4208944      0.1031942      0.0947938
 Standard basis: VSTO-6G (5D, 7F)
 There are   141 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   141 basis functions,   846 primitive gaussians,   141 cartesian basis functions
    77 alpha electrons       77 beta electrons
       nuclear repulsion energy      1659.8752346787 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   141 RedAO= F  NBF=   141
 NBsUse=   141 1.00D-04 NBFU=   141
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=982442.
 SCF Done:  E(RPM6) = -0.418005003826     A.U. after   10 cycles
             Convg  =    0.7025D-08             -V/T =  0.9987
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        9           0.000004930    0.000000045   -0.000000386
      2        8          -0.000001169   -0.000002018    0.000008526
      3        8          -0.000019472   -0.000015734   -0.000002796
      4        8          -0.000000284    0.000007068    0.000016036
      5        8           0.000069897    0.000021524    0.000016671
      6        8           0.000000388   -0.000000753    0.000011024
      7        6          -0.000026200   -0.000020284    0.000010277
      8        6          -0.000002038   -0.000003385    0.000015271
      9        6           0.000015286    0.000004164   -0.000023083
     10        6           0.000023879   -0.000004488   -0.000006778
     11        6           0.000033763    0.000022000   -0.000024086
     12        6          -0.000024602    0.000018923   -0.000042370
     13        6           0.000002424    0.000010004   -0.000002688
     14        6          -0.000000707   -0.000007685    0.000009595
     15        6          -0.000019081    0.000016448    0.000027400
     16        6          -0.000031619   -0.000016326    0.000007734
     17        6          -0.000009897    0.000005721   -0.000008869
     18        6          -0.000012818    0.000009153    0.000018014
     19        6           0.000006419    0.000002921    0.000002144
     20        6           0.000000718   -0.000008016   -0.000001637
     21        6           0.000008940   -0.000022378   -0.000007816
     22        6           0.000000468    0.000004888   -0.000007855
     23        6           0.000001302    0.000013135    0.000007135
     24        6          -0.000000189    0.000019441   -0.000001825
     25        6          -0.000006632    0.000015421    0.000011453
     26        6          -0.000037768    0.000029469   -0.000012959
     27        6          -0.000004202   -0.000004744    0.000009259
     28        6           0.000006764   -0.000000869   -0.000029341
     29        1          -0.000006949   -0.000001623   -0.000004302
     30        1           0.000000316   -0.000002012    0.000010346
     31        1           0.000002022    0.000000855    0.000027689
     32        1           0.000006995   -0.000015770    0.000008833
     33        1           0.000000021   -0.000000001   -0.000001015
     34        1           0.000000488   -0.000011169    0.000000834
     35        1           0.000001055    0.000002668   -0.000001993
     36        1          -0.000006240   -0.000005539   -0.000009316
     37        1           0.000001990    0.000000040    0.000002160
     38        1           0.000001536   -0.000004423    0.000006872
     39        1           0.000007734   -0.000005057    0.000000925
     40        1           0.000005588   -0.000003315    0.000004377
     41        1           0.000003608    0.000000714   -0.000008904
     42        1           0.000000388   -0.000000683   -0.000001057
     43        1           0.000000145   -0.000000099   -0.000001621
     44        1           0.000007865   -0.000005808   -0.000002702
     45        1          -0.000003807    0.000006498    0.000000782
     46        1           0.000000182    0.000003567    0.000003330
     47        1           0.000006435    0.000003641   -0.000004069
     48        1          -0.000005101   -0.000006042   -0.000000821
     49        1           0.000003800   -0.000007923   -0.000003095
     50        1           0.000000103    0.000004382   -0.000014560
     51        1           0.000001979   -0.000007834    0.000000925
     52        1           0.000029663    0.000013562   -0.000010136
     53        1           0.000002379   -0.000007036   -0.000000517
     54        1          -0.000002968    0.000000882    0.000010572
     55        1          -0.000000702   -0.000009039    0.000000745
     56        1           0.000002348    0.000000293   -0.000000267
     57        1          -0.000039374   -0.000037378   -0.000012066
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000069897 RMS     0.000013448

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.000050474 RMS     0.000006240
 Search for a local minimum.
 Step number  28 out of a maximum of  342
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   19   20   21   22   23
                                                     24   25   26   27   28
 DE= -1.64D-07 DEPred=-1.20D-07 R= 1.37D+00
 Trust test= 1.37D+00 RLast= 8.49D-03 DXMaxT set to 1.86D+00
     Eigenvalues ---    0.00101   0.00148   0.00187   0.00212   0.00268
     Eigenvalues ---    0.00284   0.00402   0.00476   0.00508   0.00536
     Eigenvalues ---    0.00607   0.00686   0.00765   0.00847   0.01264
     Eigenvalues ---    0.01398   0.01478   0.01543   0.01693   0.01769
     Eigenvalues ---    0.02096   0.02227   0.02338   0.02377   0.02592
     Eigenvalues ---    0.03059   0.03414   0.03742   0.03788   0.03918
     Eigenvalues ---    0.04089   0.04142   0.04281   0.04420   0.04578
     Eigenvalues ---    0.04705   0.04758   0.04882   0.05009   0.05042
     Eigenvalues ---    0.05094   0.05196   0.05236   0.05296   0.05359
     Eigenvalues ---    0.05379   0.05430   0.05530   0.05562   0.05641
     Eigenvalues ---    0.05799   0.05985   0.06132   0.06292   0.06825
     Eigenvalues ---    0.06909   0.07027   0.07129   0.07195   0.07387
     Eigenvalues ---    0.07803   0.08039   0.08218   0.08324   0.08361
     Eigenvalues ---    0.08394   0.09138   0.09268   0.09381   0.10726
     Eigenvalues ---    0.11262   0.11770   0.12027   0.12968   0.13242
     Eigenvalues ---    0.13809   0.14406   0.14956   0.15159   0.15685
     Eigenvalues ---    0.15749   0.15931   0.15954   0.15999   0.16006
     Eigenvalues ---    0.16010   0.16023   0.16042   0.16070   0.16152
     Eigenvalues ---    0.16227   0.16587   0.16839   0.17095   0.17821
     Eigenvalues ---    0.18985   0.19306   0.19875   0.20240   0.21332
     Eigenvalues ---    0.21526   0.22365   0.22937   0.23580   0.24061
     Eigenvalues ---    0.24928   0.25277   0.25321   0.26441   0.26620
     Eigenvalues ---    0.27172   0.27622   0.27927   0.27951   0.28558
     Eigenvalues ---    0.28861   0.29251   0.29832   0.30287   0.30985
     Eigenvalues ---    0.31146   0.31622   0.32266   0.32612   0.33483
     Eigenvalues ---    0.33511   0.33846   0.33885   0.33911   0.34021
     Eigenvalues ---    0.34063   0.34087   0.34102   0.34125   0.34186
     Eigenvalues ---    0.34217   0.34258   0.34273   0.34313   0.34321
     Eigenvalues ---    0.34355   0.34364   0.34394   0.34525   0.34680
     Eigenvalues ---    0.34747   0.35027   0.35145   0.35386   0.35549
     Eigenvalues ---    0.36015   0.38324   0.39891   0.42834   0.44787
     Eigenvalues ---    0.47150   0.48210   0.50363   0.52610   0.53532
     Eigenvalues ---    0.54975   0.57080   0.58406   0.89938   0.93097
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    28   27   26   25   24
 RFO step:  Lambda=-3.08778171D-08.
 DIIS coeffs:      1.77430     -0.66891     -0.35102      0.19636      0.04927
 Iteration  1 RMS(Cart)=  0.00076794 RMS(Int)=  0.00000066
 Iteration  2 RMS(Cart)=  0.00000097 RMS(Int)=  0.00000003
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.60727   0.00000  -0.00002   0.00000  -0.00002   2.60726
    R2        2.71226  -0.00001   0.00004  -0.00002   0.00002   2.71228
    R3        1.85711  -0.00001  -0.00002  -0.00002  -0.00003   1.85708
    R4        2.71505   0.00001   0.00001   0.00000   0.00001   2.71505
    R5        1.86238   0.00003  -0.00011   0.00000  -0.00011   1.86227
    R6        2.28641  -0.00001   0.00001  -0.00001   0.00000   2.28641
    R7        2.69299  -0.00003  -0.00001  -0.00004  -0.00005   2.69295
    R8        1.87272   0.00005  -0.00014   0.00001  -0.00014   1.87258
    R9        2.29297   0.00001  -0.00001   0.00000  -0.00001   2.29296
   R10        2.94829   0.00000  -0.00005   0.00003  -0.00001   2.94828
   R11        2.97152  -0.00003  -0.00001  -0.00005  -0.00006   2.97146
   R12        2.89981   0.00000   0.00001  -0.00003  -0.00002   2.89979
   R13        2.89117  -0.00001  -0.00003  -0.00001  -0.00004   2.89112
   R14        2.89844   0.00002   0.00007  -0.00003   0.00004   2.89848
   R15        2.90538   0.00000   0.00001   0.00001   0.00002   2.90540
   R16        2.12032  -0.00001  -0.00001  -0.00001  -0.00002   2.12030
   R17        2.94061   0.00000   0.00003  -0.00007  -0.00004   2.94057
   R18        2.90399   0.00000  -0.00001  -0.00004  -0.00005   2.90394
   R19        2.11767  -0.00001   0.00004  -0.00002   0.00002   2.11769
   R20        2.96433   0.00001   0.00004   0.00000   0.00004   2.96437
   R21        2.97410  -0.00002  -0.00002  -0.00005  -0.00007   2.97403
   R22        2.95889  -0.00001  -0.00006   0.00004  -0.00002   2.95887
   R23        2.90408  -0.00001  -0.00009   0.00003  -0.00006   2.90403
   R24        2.93495  -0.00001  -0.00001   0.00001  -0.00001   2.93494
   R25        2.08487  -0.00003  -0.00009  -0.00001  -0.00009   2.08478
   R26        2.08120   0.00002   0.00012  -0.00001   0.00011   2.08131
   R27        2.90765  -0.00001   0.00006  -0.00007  -0.00001   2.90763
   R28        2.09608   0.00000   0.00003  -0.00002   0.00000   2.09608
   R29        2.10025  -0.00001   0.00001  -0.00002  -0.00001   2.10024
   R30        2.87675  -0.00001  -0.00002   0.00000  -0.00002   2.87673
   R31        2.11924   0.00000   0.00006  -0.00001   0.00005   2.11928
   R32        2.11224  -0.00001  -0.00006  -0.00001  -0.00007   2.11217
   R33        2.89301   0.00000   0.00001  -0.00003  -0.00002   2.89300
   R34        2.90972   0.00000   0.00001  -0.00002  -0.00002   2.90970
   R35        2.86885   0.00001   0.00002   0.00000   0.00002   2.86887
   R36        2.89583   0.00000  -0.00001   0.00000  -0.00001   2.89581
   R37        2.09306   0.00000   0.00001   0.00000   0.00000   2.09306
   R38        2.09606   0.00001   0.00001   0.00001   0.00001   2.09608
   R39        2.06793   0.00000   0.00001   0.00000   0.00000   2.06793
   R40        2.07450  -0.00001   0.00000   0.00000   0.00000   2.07450
   R41        2.08212   0.00001   0.00001   0.00000   0.00001   2.08213
   R42        2.83958   0.00000   0.00001  -0.00003  -0.00002   2.83956
   R43        2.09913   0.00000  -0.00001   0.00001   0.00000   2.09913
   R44        2.09879   0.00000   0.00000   0.00000   0.00000   2.09879
   R45        2.53345   0.00000   0.00001  -0.00001   0.00000   2.53344
   R46        2.86794   0.00001  -0.00003   0.00008   0.00005   2.86799
   R47        2.07610  -0.00001  -0.00005   0.00000  -0.00005   2.07605
   R48        2.07343  -0.00001  -0.00001   0.00000  -0.00001   2.07342
   R49        2.07088   0.00000   0.00008  -0.00003   0.00005   2.07093
   R50        2.07479   0.00000   0.00001  -0.00001   0.00000   2.07479
   R51        2.07924   0.00000  -0.00001  -0.00001  -0.00002   2.07922
   R52        2.07625   0.00001   0.00000   0.00001   0.00001   2.07626
   R53        2.52072   0.00000   0.00000   0.00000   0.00000   2.52072
   R54        2.06261  -0.00001  -0.00002   0.00000  -0.00002   2.06259
   R55        2.79401   0.00000   0.00002  -0.00003  -0.00001   2.79401
   R56        2.06251   0.00001   0.00001   0.00000   0.00001   2.06252
   R57        2.09459   0.00000  -0.00002   0.00000  -0.00002   2.09458
   R58        2.10025   0.00000  -0.00004   0.00000  -0.00004   2.10021
   R59        2.81781   0.00000   0.00001  -0.00001   0.00000   2.81781
   R60        2.06261   0.00000   0.00001  -0.00001   0.00001   2.06261
    A1        1.93006  -0.00002   0.00004  -0.00008  -0.00003   1.93003
    A2        1.93855   0.00000   0.00000  -0.00002  -0.00002   1.93854
    A3        1.92357  -0.00002   0.00000  -0.00004  -0.00004   1.92353
    A4        1.74514   0.00000   0.00000  -0.00002  -0.00002   1.74512
    A5        1.88887   0.00000   0.00001   0.00003   0.00004   1.88891
    A6        1.98851   0.00000   0.00001   0.00002   0.00003   1.98854
    A7        2.00934   0.00000  -0.00004  -0.00001  -0.00005   2.00929
    A8        1.90189   0.00000   0.00001  -0.00001   0.00000   1.90189
    A9        1.92608   0.00000   0.00001  -0.00002   0.00000   1.92608
   A10        1.93638   0.00000  -0.00002   0.00003   0.00001   1.93639
   A11        1.81764   0.00000  -0.00002  -0.00001  -0.00002   1.81761
   A12        1.88712   0.00000   0.00008  -0.00002   0.00007   1.88718
   A13        2.07563   0.00000   0.00005   0.00000   0.00005   2.07568
   A14        1.88044   0.00000  -0.00007  -0.00001  -0.00007   1.88037
   A15        1.85833   0.00000  -0.00001  -0.00001  -0.00002   1.85831
   A16        1.89627   0.00000   0.00004  -0.00004   0.00001   1.89628
   A17        1.93901   0.00000  -0.00001  -0.00003  -0.00004   1.93897
   A18        1.90839   0.00000  -0.00005   0.00004   0.00000   1.90838
   A19        1.94756   0.00000   0.00003  -0.00003   0.00000   1.94757
   A20        1.86952   0.00000  -0.00004   0.00002  -0.00001   1.86950
   A21        1.90154   0.00000   0.00001   0.00004   0.00004   1.90158
   A22        1.88673   0.00000   0.00002  -0.00002   0.00000   1.88673
   A23        1.80528   0.00000   0.00003   0.00002   0.00006   1.80534
   A24        1.82426   0.00000  -0.00001   0.00001   0.00000   1.82425
   A25        1.97984   0.00000  -0.00006   0.00000  -0.00006   1.97979
   A26        1.94456   0.00000   0.00004   0.00000   0.00004   1.94461
   A27        2.00642   0.00000  -0.00002  -0.00002  -0.00004   2.00638
   A28        1.92011  -0.00001   0.00004  -0.00002   0.00002   1.92013
   A29        1.97519   0.00000  -0.00001  -0.00005  -0.00007   1.97512
   A30        1.79254   0.00000   0.00000   0.00002   0.00001   1.79255
   A31        1.82410   0.00000  -0.00004  -0.00001  -0.00004   1.82406
   A32        1.98875   0.00001   0.00005   0.00003   0.00009   1.98884
   A33        1.96785  -0.00001  -0.00003   0.00002  -0.00001   1.96783
   A34        1.83241  -0.00001  -0.00002  -0.00001  -0.00003   1.83238
   A35        1.94826   0.00000   0.00005   0.00000   0.00005   1.94831
   A36        1.94982   0.00000  -0.00010   0.00001  -0.00009   1.94973
   A37        1.92928   0.00000   0.00004   0.00002   0.00005   1.92933
   A38        1.95458   0.00000  -0.00004   0.00001  -0.00004   1.95455
   A39        1.85170   0.00000   0.00008  -0.00003   0.00005   1.85175
   A40        1.96258   0.00000   0.00000  -0.00001  -0.00001   1.96257
   A41        1.92659   0.00000   0.00002   0.00001   0.00003   1.92661
   A42        1.91988  -0.00001   0.00000  -0.00002  -0.00002   1.91986
   A43        1.92118   0.00000  -0.00001  -0.00002  -0.00003   1.92115
   A44        1.88251   0.00000  -0.00001   0.00002   0.00001   1.88252
   A45        1.84706   0.00000   0.00000   0.00002   0.00002   1.84707
   A46        1.85363   0.00000   0.00002  -0.00001   0.00001   1.85364
   A47        1.96746   0.00000   0.00002  -0.00002   0.00000   1.96746
   A48        1.87359   0.00000  -0.00003   0.00002  -0.00001   1.87358
   A49        1.97261   0.00000   0.00002  -0.00001   0.00001   1.97262
   A50        1.89956   0.00000  -0.00004   0.00000  -0.00004   1.89951
   A51        1.89360   0.00000   0.00001   0.00002   0.00003   1.89363
   A52        1.94018  -0.00001  -0.00002  -0.00007  -0.00009   1.94009
   A53        1.81640   0.00001  -0.00001   0.00004   0.00002   1.81642
   A54        1.88116   0.00000   0.00003   0.00001   0.00004   1.88120
   A55        2.00726   0.00000  -0.00004   0.00003  -0.00001   2.00724
   A56        1.90712   0.00000   0.00001   0.00001   0.00002   1.90714
   A57        1.90652   0.00000   0.00004  -0.00002   0.00002   1.90654
   A58        1.88231   0.00000   0.00005   0.00005   0.00010   1.88242
   A59        1.96818   0.00001   0.00004   0.00000   0.00004   1.96822
   A60        1.91314   0.00000  -0.00006  -0.00001  -0.00007   1.91306
   A61        1.87035   0.00000  -0.00004  -0.00003  -0.00008   1.87028
   A62        1.96041   0.00000  -0.00001   0.00000  -0.00001   1.96040
   A63        1.87046   0.00000   0.00002  -0.00001   0.00001   1.87048
   A64        1.95494   0.00000  -0.00001   0.00001   0.00000   1.95495
   A65        1.91267   0.00000   0.00003  -0.00001   0.00002   1.91269
   A66        1.92758   0.00000   0.00000  -0.00001  -0.00001   1.92757
   A67        1.91120   0.00000  -0.00002   0.00001   0.00000   1.91120
   A68        1.91156   0.00000  -0.00001   0.00000   0.00000   1.91156
   A69        1.84250   0.00000   0.00000   0.00000  -0.00001   1.84250
   A70        1.97112  -0.00001   0.00003  -0.00003   0.00001   1.97112
   A71        1.95127   0.00000  -0.00001   0.00000  -0.00002   1.95125
   A72        1.93854   0.00001   0.00000   0.00003   0.00003   1.93857
   A73        1.87334   0.00001  -0.00007   0.00001  -0.00006   1.87328
   A74        1.88513   0.00000   0.00001  -0.00002   0.00000   1.88512
   A75        1.83785   0.00000   0.00004   0.00000   0.00004   1.83789
   A76        1.94112   0.00000   0.00006   0.00003   0.00009   1.94122
   A77        1.92879   0.00000   0.00001   0.00000   0.00000   1.92879
   A78        1.90897   0.00000  -0.00001   0.00001  -0.00001   1.90897
   A79        1.91239   0.00000  -0.00005  -0.00003  -0.00008   1.91232
   A80        1.93740   0.00000  -0.00001  -0.00001  -0.00002   1.93738
   A81        1.83235   0.00000   0.00000   0.00000   0.00000   1.83234
   A82        2.01821   0.00000   0.00006   0.00000   0.00007   2.01828
   A83        2.14142   0.00000  -0.00004   0.00000  -0.00004   2.14139
   A84        2.12339   0.00000  -0.00003  -0.00001  -0.00003   2.12336
   A85        2.13909   0.00000   0.00004  -0.00003   0.00001   2.13910
   A86        2.11621  -0.00002  -0.00002   0.00000  -0.00001   2.11619
   A87        2.02771   0.00002  -0.00002   0.00002   0.00000   2.02771
   A88        1.94116   0.00000   0.00005   0.00000   0.00005   1.94121
   A89        1.93865   0.00000   0.00003  -0.00001   0.00003   1.93867
   A90        1.96633   0.00000  -0.00012   0.00004  -0.00008   1.96624
   A91        1.87014   0.00000  -0.00005   0.00001  -0.00004   1.87010
   A92        1.87107   0.00000   0.00007  -0.00004   0.00003   1.87110
   A93        1.87187   0.00000   0.00002   0.00000   0.00002   1.87189
   A94        1.95312   0.00001   0.00000  -0.00001  -0.00001   1.95311
   A95        1.96185   0.00000  -0.00001   0.00001   0.00000   1.96185
   A96        1.93502   0.00000   0.00000   0.00000   0.00000   1.93502
   A97        1.86225  -0.00001   0.00003  -0.00002   0.00001   1.86226
   A98        1.87997  -0.00001  -0.00002  -0.00001  -0.00003   1.87994
   A99        1.86688   0.00000   0.00001   0.00002   0.00003   1.86692
   A100       2.16355   0.00000   0.00000  -0.00001  -0.00001   2.16353
   A101       2.01017   0.00000   0.00001   0.00000   0.00001   2.01018
   A102       2.10929   0.00000  -0.00001   0.00001   0.00001   2.10929
   A103       2.14819   0.00000   0.00002  -0.00001   0.00002   2.14821
   A104       2.13965   0.00000   0.00003  -0.00001   0.00002   2.13967
   A105       1.99526   0.00000  -0.00005   0.00002  -0.00003   1.99523
   A106       1.94664  -0.00002  -0.00011  -0.00006  -0.00017   1.94647
   A107       1.82672   0.00000  -0.00007  -0.00006  -0.00012   1.82659
   A108       1.90480   0.00001   0.00021   0.00012   0.00033   1.90512
   A109       1.96788   0.00001   0.00013   0.00000   0.00013   1.96801
   A110       1.92469   0.00000  -0.00008   0.00000  -0.00008   1.92461
   A111       1.88953   0.00000  -0.00007   0.00000  -0.00007   1.88946
   A112       2.13165   0.00000   0.00000  -0.00001  -0.00001   2.13164
   A113       2.14721   0.00000   0.00004  -0.00001   0.00003   2.14724
   A114       2.00432   0.00000  -0.00003   0.00001  -0.00002   2.00430
   A115       2.14180   0.00000   0.00001   0.00000   0.00001   2.14181
   A116       2.12398   0.00000   0.00002   0.00000   0.00002   2.12400
   A117       2.01740   0.00000  -0.00003   0.00000  -0.00003   2.01737
    D1       -1.35197   0.00000   0.00058   0.00052   0.00111  -1.35086
    D2        0.68112   0.00001   0.00056   0.00047   0.00103   0.68215
    D3        2.80777   0.00000   0.00051   0.00048   0.00098   2.80876
    D4       -1.23564   0.00000  -0.00052  -0.00030  -0.00082  -1.23646
    D5        2.87707   0.00000  -0.00045  -0.00032  -0.00077   2.87631
    D6        0.85393   0.00000  -0.00050  -0.00032  -0.00082   0.85311
    D7        0.52120   0.00001   0.00208   0.00153   0.00361   0.52481
    D8        2.65413   0.00001   0.00213   0.00147   0.00360   2.65773
    D9       -1.60971   0.00001   0.00211   0.00149   0.00360  -1.60611
   D10        3.03458   0.00000   0.00008   0.00008   0.00015   3.03474
   D11        0.78155   0.00000   0.00005   0.00005   0.00010   0.78165
   D12       -1.19009   0.00000   0.00003   0.00008   0.00011  -1.18998
   D13       -1.14039   0.00000   0.00003   0.00007   0.00010  -1.14029
   D14        2.88977   0.00000   0.00000   0.00004   0.00005   2.88981
   D15        0.91812   0.00000  -0.00001   0.00007   0.00006   0.91818
   D16        1.00896   0.00000   0.00006   0.00009   0.00015   1.00911
   D17       -1.24407   0.00000   0.00003   0.00006   0.00009  -1.24398
   D18        3.06747   0.00000   0.00002   0.00009   0.00010   3.06757
   D19        1.45349   0.00000  -0.00011  -0.00014  -0.00025   1.45324
   D20       -0.67218   0.00000  -0.00009  -0.00007  -0.00016  -0.67234
   D21       -2.82779   0.00000  -0.00005  -0.00011  -0.00016  -2.82795
   D22       -0.56551   0.00000  -0.00010  -0.00016  -0.00026  -0.56577
   D23       -2.69119   0.00000  -0.00008  -0.00009  -0.00017  -2.69136
   D24        1.43640   0.00000  -0.00005  -0.00013  -0.00018   1.43622
   D25       -2.73977   0.00000  -0.00010  -0.00012  -0.00022  -2.73999
   D26        1.41774   0.00000  -0.00008  -0.00005  -0.00013   1.41761
   D27       -0.73787   0.00000  -0.00004  -0.00009  -0.00014  -0.73800
   D28        0.96549   0.00000   0.00007  -0.00011  -0.00004   0.96545
   D29       -1.18736   0.00000   0.00006  -0.00008  -0.00002  -1.18737
   D30        3.06395   0.00000   0.00005  -0.00010  -0.00004   3.06391
   D31        2.90041   0.00000   0.00005  -0.00011  -0.00006   2.90035
   D32        0.74756   0.00000   0.00005  -0.00009  -0.00004   0.74752
   D33       -1.28432   0.00000   0.00004  -0.00010  -0.00007  -1.28439
   D34       -1.22122   0.00000   0.00005  -0.00015  -0.00010  -1.22133
   D35        2.90911   0.00000   0.00004  -0.00012  -0.00008   2.90903
   D36        0.87723   0.00000   0.00003  -0.00014  -0.00011   0.87713
   D37        1.01877   0.00000   0.00029  -0.00014   0.00015   1.01892
   D38        3.13373   0.00000   0.00021  -0.00015   0.00007   3.13379
   D39       -1.10217   0.00000   0.00025  -0.00012   0.00013  -1.10204
   D40       -0.91306  -0.00001   0.00028  -0.00013   0.00015  -0.91290
   D41        1.20190   0.00000   0.00020  -0.00013   0.00007   1.20197
   D42       -3.03400   0.00000   0.00024  -0.00011   0.00013  -3.03387
   D43       -3.13546   0.00000   0.00032  -0.00009   0.00022  -3.13523
   D44       -1.02050   0.00000   0.00024  -0.00010   0.00014  -1.02036
   D45        1.02679   0.00000   0.00028  -0.00008   0.00020   1.02699
   D46        1.08589   0.00000   0.00000  -0.00001  -0.00001   1.08587
   D47       -3.04844   0.00000   0.00006  -0.00009  -0.00003  -3.04847
   D48       -0.94904   0.00000   0.00004  -0.00004   0.00000  -0.94904
   D49       -3.09079   0.00000  -0.00001   0.00001   0.00000  -3.09079
   D50       -0.94194   0.00000   0.00006  -0.00007  -0.00001  -0.94195
   D51        1.15746   0.00000   0.00003  -0.00002   0.00002   1.15748
   D52       -0.97668   0.00000  -0.00005  -0.00001  -0.00005  -0.97673
   D53        1.17218   0.00000   0.00002  -0.00009  -0.00007   1.17212
   D54       -3.01160   0.00000  -0.00001  -0.00003  -0.00004  -3.01164
   D55       -0.59262   0.00000   0.00002  -0.00001   0.00001  -0.59260
   D56        1.49817   0.00000   0.00008   0.00001   0.00009   1.49826
   D57       -2.71481   0.00000   0.00014  -0.00002   0.00013  -2.71468
   D58       -2.75835   0.00000   0.00004  -0.00005  -0.00001  -2.75836
   D59       -0.66756   0.00000   0.00009  -0.00003   0.00006  -0.66750
   D60        1.40264   0.00000   0.00016  -0.00006   0.00010   1.40274
   D61        1.39959   0.00000   0.00010  -0.00003   0.00007   1.39966
   D62       -2.79281   0.00000   0.00016  -0.00002   0.00014  -2.79267
   D63       -0.72260   0.00000   0.00022  -0.00004   0.00018  -0.72242
   D64        1.11661   0.00000  -0.00004  -0.00003  -0.00006   1.11654
   D65       -0.87459   0.00000  -0.00006  -0.00005  -0.00010  -0.87469
   D66        3.11159   0.00000  -0.00002  -0.00003  -0.00004   3.11155
   D67       -1.02710   0.00000  -0.00008   0.00005  -0.00002  -1.02713
   D68       -3.01830   0.00000  -0.00010   0.00003  -0.00006  -3.01836
   D69        0.96788   0.00000  -0.00006   0.00005   0.00000   0.96788
   D70       -3.10685   0.00000  -0.00009   0.00001  -0.00007  -3.10692
   D71        1.18514   0.00000  -0.00011   0.00000  -0.00011   1.18503
   D72       -1.11187   0.00000  -0.00007   0.00002  -0.00005  -1.11192
   D73       -3.05417   0.00000  -0.00004   0.00004   0.00000  -3.05418
   D74        1.10423   0.00000  -0.00004   0.00003  -0.00001   1.10422
   D75       -0.91843   0.00000  -0.00005   0.00004  -0.00001  -0.91843
   D76       -0.93508   0.00000   0.00003  -0.00005  -0.00002  -0.93509
   D77       -3.05986   0.00000   0.00004  -0.00006  -0.00002  -3.05988
   D78        1.20067   0.00000   0.00002  -0.00004  -0.00002   1.20065
   D79        1.12556   0.00000   0.00001  -0.00002   0.00000   1.12556
   D80       -0.99922   0.00000   0.00002  -0.00003  -0.00001  -0.99923
   D81       -3.02188   0.00000   0.00001  -0.00001  -0.00001  -3.02188
   D82        2.93923   0.00000   0.00014   0.00005   0.00020   2.93943
   D83       -1.28581   0.00000   0.00008   0.00007   0.00015  -1.28566
   D84        0.86517   0.00000   0.00011   0.00008   0.00019   0.86536
   D85       -1.30446   0.00000   0.00016   0.00005   0.00021  -1.30425
   D86        0.75368   0.00000   0.00010   0.00006   0.00016   0.75384
   D87        2.90467   0.00000   0.00013   0.00007   0.00020   2.90487
   D88        0.96177   0.00000   0.00015   0.00004   0.00018   0.96195
   D89        3.01991   0.00000   0.00008   0.00005   0.00013   3.02005
   D90       -1.11229   0.00000   0.00012   0.00006   0.00017  -1.11211
   D91        1.08645   0.00000   0.00020  -0.00001   0.00018   1.08664
   D92       -3.13510   0.00000   0.00020  -0.00002   0.00018  -3.13491
   D93       -1.05285   0.00000   0.00021  -0.00003   0.00018  -1.05267
   D94       -0.94703   0.00000   0.00016   0.00000   0.00016  -0.94687
   D95        1.11461   0.00000   0.00016   0.00000   0.00016   1.11476
   D96       -3.08633   0.00000   0.00017  -0.00002   0.00015  -3.08618
   D97        3.05278   0.00000   0.00022   0.00001   0.00023   3.05301
   D98       -1.16877   0.00000   0.00022   0.00001   0.00023  -1.16854
   D99        0.91348   0.00000   0.00023  -0.00001   0.00023   0.91370
   D100      -1.76150   0.00000   0.00008   0.00012   0.00019  -1.76131
   D101       0.40765   0.00000   0.00013   0.00009   0.00022   0.40787
   D102       2.49190   0.00000   0.00013   0.00011   0.00024   2.49214
   D103       0.32752   0.00000   0.00009   0.00007   0.00016   0.32768
   D104       2.49667   0.00000   0.00014   0.00004   0.00018   2.49685
   D105      -1.70227   0.00000   0.00014   0.00006   0.00021  -1.70206
   D106       2.49656   0.00001   0.00011   0.00012   0.00023   2.49679
   D107      -1.61748   0.00000   0.00016   0.00009   0.00025  -1.61723
   D108       0.46677   0.00001   0.00017   0.00011   0.00028   0.46705
   D109      -2.63423   0.00000  -0.00099  -0.00023  -0.00122  -2.63545
   D110       0.48708   0.00000  -0.00102  -0.00028  -0.00130   0.48579
   D111       1.57292   0.00000  -0.00106  -0.00024  -0.00130   1.57163
   D112      -1.58895   0.00000  -0.00109  -0.00029  -0.00138  -1.59032
   D113      -0.50260   0.00000  -0.00103  -0.00027  -0.00129  -0.50389
   D114       2.61871   0.00000  -0.00105  -0.00032  -0.00138   2.61734
   D115       0.15891   0.00000  -0.00007  -0.00003  -0.00010   0.15880
   D116      -2.00705   0.00001  -0.00013   0.00001  -0.00012  -2.00717
   D117       2.17115   0.00000  -0.00012  -0.00001  -0.00013   2.17101
   D118      -1.94448   0.00000  -0.00014  -0.00004  -0.00017  -1.94465
   D119       2.17275   0.00000  -0.00019   0.00000  -0.00019   2.17256
   D120       0.06776   0.00000  -0.00018  -0.00002  -0.00020   0.06756
   D121       2.27798   0.00000  -0.00024  -0.00002  -0.00025   2.27773
   D122       0.11203   0.00000  -0.00029   0.00002  -0.00027   0.11176
   D123      -1.99296   0.00000  -0.00028   0.00000  -0.00028  -1.99324
   D124       1.32547  -0.00001  -0.00017  -0.00001  -0.00019   1.32528
   D125      -0.80114   0.00000  -0.00011   0.00003  -0.00008  -0.80122
   D126      -2.95245   0.00000  -0.00013   0.00001  -0.00012  -2.95256
   D127      -2.80185   0.00000  -0.00016  -0.00002  -0.00018  -2.80203
   D128       1.35472   0.00000  -0.00009   0.00002  -0.00007   1.35465
   D129      -0.79658   0.00000  -0.00011   0.00000  -0.00011  -0.79669
   D130      -0.79445   0.00000  -0.00017   0.00000  -0.00016  -0.79461
   D131      -2.92106   0.00001  -0.00010   0.00005  -0.00006  -2.92112
   D132       1.21082   0.00000  -0.00012   0.00002  -0.00009   1.21073
   D133       0.95257   0.00000  -0.00035  -0.00014  -0.00049   0.95208
   D134       3.03392   0.00000  -0.00035  -0.00013  -0.00049   3.03343
   D135      -1.14873   0.00000  -0.00039  -0.00011  -0.00050  -1.14923
   D136       3.05477   0.00000  -0.00029  -0.00018  -0.00047   3.05431
   D137      -1.14707   0.00000  -0.00030  -0.00017  -0.00046  -1.14753
   D138       0.95347   0.00000  -0.00033  -0.00015  -0.00048   0.95300
   D139      -1.12004   0.00000  -0.00033  -0.00017  -0.00049  -1.12053
   D140       0.96131   0.00000  -0.00033  -0.00016  -0.00049   0.96082
   D141       3.06185   0.00000  -0.00037  -0.00014  -0.00050   3.06134
   D142       0.96810   0.00000  -0.00021  -0.00012  -0.00034   0.96777
   D143      -2.19246   0.00000  -0.00041  -0.00015  -0.00056  -2.19302
   D144      -1.15538   0.00000  -0.00027  -0.00014  -0.00040  -1.15578
   D145       1.96724   0.00000  -0.00046  -0.00016  -0.00063   1.96662
   D146       3.07810   0.00000  -0.00026  -0.00011  -0.00037   3.07774
   D147      -0.08245   0.00000  -0.00046  -0.00013  -0.00059  -0.08305
   D148      -0.87954   0.00000   0.00000   0.00004   0.00004  -0.87951
   D149       1.21575   0.00000   0.00003   0.00002   0.00005   1.21580
   D150      -2.97887   0.00000   0.00003   0.00005   0.00009  -2.97879
   D151       1.18909   0.00000   0.00006   0.00008   0.00014   1.18923
   D152      -2.99880   0.00000   0.00009   0.00006   0.00015  -2.99865
   D153      -0.91024   0.00000   0.00010   0.00009   0.00019  -0.91005
   D154      -2.98636   0.00000   0.00004   0.00005   0.00009  -2.98627
   D155      -0.89107   0.00000   0.00007   0.00003   0.00010  -0.89097
   D156       1.19749   0.00000   0.00007   0.00007   0.00014   1.19763
   D157       2.17041   0.00000   0.00048   0.00021   0.00069   2.17110
   D158      -0.99130   0.00000   0.00053   0.00025   0.00078  -0.99052
   D159       0.07823   0.00000   0.00046   0.00016   0.00062   0.07885
   D160      -3.08348   0.00000   0.00051   0.00020   0.00070  -3.08277
   D161      -1.97140   0.00000   0.00050   0.00021   0.00071  -1.97069
   D162       1.15008   0.00000   0.00055   0.00024   0.00079   1.15087
   D163       0.90948   0.00000  -0.00008  -0.00003  -0.00010   0.90937
   D164      -1.21866   0.00000  -0.00006  -0.00001  -0.00007  -1.21873
   D165       3.05562   0.00000  -0.00006  -0.00001  -0.00007   3.05556
   D166       3.03510   0.00000  -0.00005  -0.00003  -0.00008   3.03501
   D167       0.90696   0.00000  -0.00004  -0.00001  -0.00005   0.90691
   D168      -1.10194   0.00000  -0.00004  -0.00001  -0.00005  -1.10199
   D169      -1.23537   0.00000  -0.00007  -0.00002  -0.00010  -1.23547
   D170       2.91968   0.00000  -0.00006   0.00000  -0.00006   2.91962
   D171       0.91078   0.00000  -0.00005   0.00000  -0.00006   0.91072
   D172      -0.96097   0.00000   0.00016   0.00014   0.00031  -0.96066
   D173       2.19938   0.00000   0.00036   0.00017   0.00053   2.19991
   D174       1.17666   0.00000   0.00018   0.00014   0.00032   1.17698
   D175      -1.94618   0.00000   0.00038   0.00017   0.00054  -1.94564
   D176      -3.09071   0.00000   0.00014   0.00012   0.00026  -3.09045
   D177       0.06964   0.00000   0.00034   0.00015   0.00049   0.07012
   D178       0.02774   0.00000  -0.00014  -0.00010  -0.00024   0.02751
   D179      -3.12844   0.00000  -0.00002  -0.00006  -0.00008  -3.12852
   D180      -3.13394   0.00000  -0.00035  -0.00013  -0.00048  -3.13441
   D181      -0.00694   0.00000  -0.00023  -0.00009  -0.00032  -0.00726
   D182      -0.26453   0.00000  -0.00112  -0.00094  -0.00207  -0.26660
   D183      -2.31396   0.00000  -0.00105  -0.00083  -0.00188  -2.31584
   D184       1.85487   0.00000  -0.00099  -0.00083  -0.00182   1.85304
   D185       2.89706   0.00000  -0.00110  -0.00089  -0.00199   2.89507
   D186       0.84762   0.00000  -0.00102  -0.00078  -0.00180   0.84582
   D187      -1.26673   0.00000  -0.00096  -0.00078  -0.00174  -1.26848
   D188      -0.01850   0.00000   0.00014   0.00004   0.00018  -0.01832
   D189       3.12701   0.00000   0.00010   0.00003   0.00013   3.12714
   D190      -3.13889   0.00000   0.00009   0.00001   0.00009  -3.13880
   D191       0.00663   0.00000   0.00005   0.00000   0.00004   0.00667
   D192      -3.10260   0.00000   0.00078   0.00023   0.00101  -3.10158
   D193       0.03801   0.00000   0.00074   0.00030   0.00104   0.03905
   D194       0.05249  -0.00001   0.00067   0.00019   0.00087   0.05335
   D195      -3.09009   0.00000   0.00063   0.00026   0.00089  -3.08920
   D196       3.09764   0.00000  -0.00078  -0.00020  -0.00098   3.09665
   D197      -0.04298   0.00000  -0.00074  -0.00027  -0.00101  -0.04399
   D198      -0.04758   0.00001  -0.00074  -0.00019  -0.00093  -0.04852
   D199       3.09498   0.00000  -0.00070  -0.00026  -0.00096   3.09402
         Item               Value     Threshold  Converged?
 Maximum Force            0.000050     0.000450     YES
 RMS     Force            0.000006     0.000300     YES
 Maximum Displacement     0.007268     0.001800     NO 
 RMS     Displacement     0.000768     0.001200     YES
 Predicted change in Energy=-8.533906D-08
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C22H29FO5
 Framework group  C1[X(C22H29FO5)]
 Deg. of freedom   165
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          9           0        1.537443    0.051635   -1.391181
      2          8           0       -3.018847    0.239695   -1.810811
      3          8           0        0.337226   -2.204553    1.135872
      4          8           0       -4.875802   -0.147224    1.047116
      5          8           0       -5.565205   -2.437618   -0.209750
      6          8           0        6.485774   -0.157119   -1.398814
      7          6           0       -1.652553   -0.133036    0.207060
      8          6           0       -0.752567    1.122028   -0.014184
      9          6           0        0.627803    0.926553    0.625294
     10          6           0        1.331067   -0.276545   -0.067065
     11          6           0       -3.009775    0.396956   -0.384205
     12          6           0       -1.627375    2.298097    0.449914
     13          6           0       -1.027544   -1.311546   -0.551344
     14          6           0       -3.078188    1.893540    0.070965
     15          6           0        0.435318   -1.561940   -0.145399
     16          6           0        2.776023   -0.508379    0.511877
     17          6           0        1.470208    2.207871    0.525149
     18          6           0       -1.859477   -0.496822    1.678620
     19          6           0        2.896045    1.999981    1.046701
     20          6           0        3.544858    0.810481    0.397064
     21          6           0       -4.239731   -0.413966    0.053057
     22          6           0       -3.693070    2.801811   -0.984667
     23          6           0        2.765660   -0.900007    2.000953
     24          6           0        3.452569   -1.637903   -0.243909
     25          6           0        4.731059    0.905776   -0.220320
     26          6           0       -4.638533   -1.565625   -0.851360
     27          6           0        4.630885   -1.522521   -0.858370
     28          6           0        5.393543   -0.241331   -0.877050
     29          1           0       -0.602266    1.253580   -1.118275
     30          1           0        0.501564    0.657492    1.705796
     31          1           0       -1.543073    2.463267    1.537433
     32          1           0       -1.325088    3.243761   -0.026934
     33          1           0       -1.095943   -1.146460   -1.646053
     34          1           0       -1.601516   -2.241403   -0.348532
     35          1           0       -3.717531    1.934219    0.991450
     36          1           0        0.895826   -2.289614   -0.857932
     37          1           0        0.981303    3.019490    1.098754
     38          1           0        1.507769    2.565776   -0.524044
     39          1           0       -2.310245    0.313980    2.259057
     40          1           0       -2.503138   -1.378594    1.793945
     41          1           0       -0.905135   -0.768791    2.157435
     42          1           0        2.891400    1.865241    2.149299
     43          1           0        3.490183    2.922031    0.872559
     44          1           0       -4.682429    2.438414   -1.294554
     45          1           0       -3.828665    3.819913   -0.598737
     46          1           0       -3.077367    2.876058   -1.888200
     47          1           0        2.156019   -0.211915    2.601218
     48          1           0        2.359189   -1.908974    2.166422
     49          1           0        3.783462   -0.892552    2.414700
     50          1           0       -2.477625    0.939345   -2.238961
     51          1           0        2.913280   -2.586840   -0.241100
     52          1           0        1.191292   -2.627620    1.386343
     53          1           0        5.283408    1.844483   -0.290875
     54          1           0       -3.782132   -2.215658   -1.120785
     55          1           0       -5.091190   -1.179227   -1.789963
     56          1           0        5.109789   -2.348911   -1.386646
     57          1           0       -6.120650   -1.931498    0.436207
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.4209371      0.1031896      0.0947890
 Standard basis: VSTO-6G (5D, 7F)
 There are   141 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   141 basis functions,   846 primitive gaussians,   141 cartesian basis functions
    77 alpha electrons       77 beta electrons
       nuclear repulsion energy      1659.8716586796 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   141 RedAO= F  NBF=   141
 NBsUse=   141 1.00D-04 NBFU=   141
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=982442.
 SCF Done:  E(RPM6) = -0.418005150405     A.U. after   10 cycles
             Convg  =    0.6402D-08             -V/T =  0.9987
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        9           0.000003471    0.000001923    0.000008601
      2        8          -0.000003147   -0.000001991    0.000009668
      3        8          -0.000036021   -0.000020632    0.000006034
      4        8           0.000007718    0.000004840    0.000024379
      5        8           0.000074805    0.000033901    0.000037341
      6        8           0.000004694   -0.000000539    0.000013311
      7        6          -0.000020976   -0.000011083    0.000016911
      8        6           0.000009868   -0.000004948    0.000002124
      9        6          -0.000005880    0.000003503   -0.000032147
     10        6           0.000010881    0.000002937   -0.000009873
     11        6           0.000025602    0.000012713   -0.000015366
     12        6          -0.000008378    0.000004921   -0.000000763
     13        6           0.000009835    0.000011523    0.000005297
     14        6          -0.000015041   -0.000017826   -0.000010627
     15        6          -0.000022597    0.000001233    0.000018355
     16        6          -0.000018174   -0.000007872    0.000004886
     17        6          -0.000001772   -0.000003209   -0.000005585
     18        6          -0.000004677    0.000007033    0.000002578
     19        6           0.000003521    0.000000507    0.000002911
     20        6           0.000003614   -0.000007914    0.000004107
     21        6          -0.000007390   -0.000016484   -0.000021282
     22        6           0.000016696   -0.000000425    0.000003140
     23        6           0.000001319    0.000010276    0.000000899
     24        6           0.000002648    0.000014975    0.000001239
     25        6           0.000005265    0.000010278    0.000010138
     26        6          -0.000032399    0.000031654   -0.000007176
     27        6           0.000005365   -0.000002973    0.000008160
     28        6          -0.000006696   -0.000000166   -0.000020835
     29        1          -0.000011387    0.000002278    0.000002866
     30        1           0.000000051   -0.000004225    0.000013644
     31        1           0.000003159   -0.000003019    0.000009203
     32        1          -0.000000820    0.000000943   -0.000008895
     33        1          -0.000001792    0.000000926   -0.000003028
     34        1          -0.000000818   -0.000008579    0.000000683
     35        1           0.000005769    0.000003790    0.000008279
     36        1          -0.000000182    0.000003928   -0.000000745
     37        1           0.000001383    0.000000047    0.000001731
     38        1           0.000002430   -0.000004669    0.000004285
     39        1           0.000008195   -0.000005404   -0.000000069
     40        1           0.000005417   -0.000000500    0.000003064
     41        1          -0.000000198    0.000000861   -0.000005761
     42        1          -0.000001514   -0.000001772   -0.000004187
     43        1          -0.000000478   -0.000001279   -0.000001719
     44        1           0.000001734    0.000001056    0.000001395
     45        1          -0.000000392    0.000003693   -0.000000268
     46        1          -0.000012777    0.000001191   -0.000003702
     47        1           0.000003464    0.000003754   -0.000004339
     48        1          -0.000004764   -0.000003715   -0.000002062
     49        1           0.000003182   -0.000004573   -0.000002803
     50        1           0.000001183    0.000001268   -0.000010169
     51        1           0.000000301   -0.000003371   -0.000000338
     52        1           0.000049155    0.000020632   -0.000019705
     53        1           0.000001053   -0.000006430   -0.000004261
     54        1           0.000002801    0.000000861    0.000006382
     55        1          -0.000004924   -0.000006706    0.000001200
     56        1           0.000000343    0.000000543   -0.000004681
     57        1          -0.000051728   -0.000047682   -0.000032425
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000074805 RMS     0.000013685

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.000075604 RMS     0.000006541
 Search for a local minimum.
 Step number  29 out of a maximum of  342
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   19   20   21   22   23
                                                     24   25   26   27   28
                                                     29
 DE= -1.47D-07 DEPred=-8.53D-08 R= 1.72D+00
 Trust test= 1.72D+00 RLast= 9.72D-03 DXMaxT set to 1.86D+00
     Eigenvalues ---    0.00089   0.00120   0.00176   0.00203   0.00262
     Eigenvalues ---    0.00277   0.00402   0.00476   0.00498   0.00526
     Eigenvalues ---    0.00608   0.00695   0.00751   0.00861   0.01259
     Eigenvalues ---    0.01397   0.01488   0.01536   0.01691   0.01768
     Eigenvalues ---    0.02096   0.02227   0.02336   0.02378   0.02606
     Eigenvalues ---    0.03059   0.03412   0.03747   0.03790   0.03933
     Eigenvalues ---    0.04049   0.04140   0.04286   0.04428   0.04581
     Eigenvalues ---    0.04710   0.04766   0.04876   0.04995   0.05035
     Eigenvalues ---    0.05112   0.05203   0.05242   0.05287   0.05354
     Eigenvalues ---    0.05366   0.05432   0.05533   0.05564   0.05631
     Eigenvalues ---    0.05799   0.05995   0.06138   0.06285   0.06821
     Eigenvalues ---    0.06915   0.07027   0.07098   0.07170   0.07390
     Eigenvalues ---    0.07804   0.08043   0.08191   0.08320   0.08367
     Eigenvalues ---    0.08387   0.09078   0.09271   0.09393   0.10694
     Eigenvalues ---    0.11259   0.11783   0.12019   0.12929   0.13260
     Eigenvalues ---    0.13814   0.14374   0.14986   0.15153   0.15585
     Eigenvalues ---    0.15787   0.15920   0.15954   0.15999   0.16006
     Eigenvalues ---    0.16013   0.16028   0.16042   0.16072   0.16175
     Eigenvalues ---    0.16284   0.16456   0.16865   0.17055   0.17807
     Eigenvalues ---    0.19043   0.19291   0.19861   0.20370   0.21261
     Eigenvalues ---    0.21389   0.22347   0.22948   0.23499   0.24072
     Eigenvalues ---    0.24924   0.25313   0.25334   0.26040   0.26619
     Eigenvalues ---    0.26851   0.27628   0.27821   0.27938   0.28385
     Eigenvalues ---    0.29044   0.29243   0.29845   0.30363   0.31048
     Eigenvalues ---    0.31314   0.32011   0.32295   0.32606   0.33503
     Eigenvalues ---    0.33546   0.33870   0.33886   0.33914   0.34027
     Eigenvalues ---    0.34062   0.34089   0.34106   0.34127   0.34191
     Eigenvalues ---    0.34216   0.34260   0.34279   0.34315   0.34336
     Eigenvalues ---    0.34365   0.34392   0.34442   0.34524   0.34707
     Eigenvalues ---    0.34730   0.35097   0.35145   0.35424   0.35552
     Eigenvalues ---    0.35955   0.37842   0.39836   0.42751   0.44694
     Eigenvalues ---    0.46952   0.48441   0.50944   0.53209   0.53543
     Eigenvalues ---    0.55974   0.58242   0.59242   0.90101   0.93490
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    29   28   27   26   25
 RFO step:  Lambda=-2.84891826D-08.
 DIIS coeffs:      1.77327     -0.61065     -0.49264      0.32484      0.00517
 Iteration  1 RMS(Cart)=  0.00066842 RMS(Int)=  0.00000062
 Iteration  2 RMS(Cart)=  0.00000094 RMS(Int)=  0.00000002
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.60726   0.00001  -0.00001   0.00001   0.00000   2.60726
    R2        2.71228   0.00000   0.00002   0.00002   0.00004   2.71231
    R3        1.85708  -0.00001  -0.00003   0.00001  -0.00002   1.85705
    R4        2.71505   0.00001   0.00001   0.00002   0.00003   2.71508
    R5        1.86227   0.00006  -0.00002   0.00001  -0.00001   1.86226
    R6        2.28641  -0.00002   0.00000  -0.00002  -0.00002   2.28639
    R7        2.69295  -0.00003  -0.00006  -0.00002  -0.00008   2.69287
    R8        1.87258   0.00008  -0.00003   0.00004   0.00001   1.87259
    R9        2.29296   0.00001   0.00000   0.00001   0.00000   2.29296
   R10        2.94828   0.00000  -0.00001   0.00001   0.00000   2.94828
   R11        2.97146  -0.00001  -0.00005   0.00000  -0.00005   2.97142
   R12        2.89979   0.00001   0.00001   0.00001   0.00002   2.89981
   R13        2.89112   0.00000  -0.00003   0.00003   0.00000   2.89112
   R14        2.89848   0.00001   0.00004  -0.00001   0.00003   2.89851
   R15        2.90540   0.00000   0.00002   0.00001   0.00003   2.90543
   R16        2.12030   0.00000  -0.00002   0.00001  -0.00001   2.12028
   R17        2.94057   0.00001  -0.00002   0.00004   0.00003   2.94059
   R18        2.90394   0.00001  -0.00004   0.00004   0.00000   2.90395
   R19        2.11769  -0.00001   0.00000  -0.00003  -0.00002   2.11766
   R20        2.96437   0.00001   0.00006  -0.00001   0.00005   2.96442
   R21        2.97403   0.00000  -0.00003   0.00000  -0.00003   2.97400
   R22        2.95887   0.00001   0.00000   0.00001   0.00001   2.95888
   R23        2.90403   0.00001  -0.00003  -0.00001  -0.00005   2.90398
   R24        2.93494   0.00000  -0.00001   0.00000  -0.00001   2.93493
   R25        2.08478  -0.00001  -0.00010   0.00001  -0.00008   2.08470
   R26        2.08131  -0.00001   0.00009  -0.00003   0.00007   2.08138
   R27        2.90763   0.00000  -0.00002   0.00003   0.00001   2.90764
   R28        2.09608   0.00000   0.00000   0.00000   0.00000   2.09608
   R29        2.10024  -0.00001  -0.00002   0.00001  -0.00001   2.10024
   R30        2.87673   0.00000  -0.00001  -0.00001  -0.00002   2.87670
   R31        2.11928  -0.00001   0.00003  -0.00002   0.00001   2.11929
   R32        2.11217   0.00000  -0.00007   0.00003  -0.00004   2.11213
   R33        2.89300   0.00001   0.00000   0.00003   0.00003   2.89303
   R34        2.90970   0.00001   0.00000   0.00002   0.00003   2.90973
   R35        2.86887   0.00001   0.00006  -0.00001   0.00004   2.86891
   R36        2.89581   0.00000   0.00000  -0.00001  -0.00001   2.89581
   R37        2.09306   0.00000   0.00000   0.00000   0.00000   2.09306
   R38        2.09608   0.00001   0.00002   0.00000   0.00002   2.09610
   R39        2.06793   0.00000   0.00001   0.00000   0.00001   2.06794
   R40        2.07450   0.00000   0.00000   0.00000  -0.00001   2.07450
   R41        2.08213   0.00000   0.00002   0.00000   0.00002   2.08215
   R42        2.83956   0.00001  -0.00002   0.00002   0.00001   2.83957
   R43        2.09913   0.00000   0.00000   0.00001   0.00001   2.09914
   R44        2.09879   0.00000   0.00000   0.00001   0.00000   2.09879
   R45        2.53344   0.00001   0.00000   0.00002   0.00001   2.53346
   R46        2.86799   0.00002   0.00005   0.00002   0.00007   2.86806
   R47        2.07605   0.00000  -0.00004   0.00002  -0.00003   2.07602
   R48        2.07342   0.00000  -0.00001   0.00000  -0.00001   2.07341
   R49        2.07093  -0.00001   0.00004  -0.00003   0.00001   2.07094
   R50        2.07479   0.00000   0.00000   0.00000   0.00000   2.07478
   R51        2.07922   0.00000  -0.00001   0.00000  -0.00002   2.07921
   R52        2.07626   0.00000   0.00001   0.00001   0.00001   2.07627
   R53        2.52072   0.00000   0.00000   0.00000   0.00000   2.52072
   R54        2.06259   0.00000  -0.00002   0.00000  -0.00002   2.06258
   R55        2.79401   0.00000  -0.00001   0.00000  -0.00001   2.79400
   R56        2.06252   0.00001   0.00001   0.00000   0.00002   2.06254
   R57        2.09458   0.00000  -0.00001   0.00000   0.00000   2.09457
   R58        2.10021   0.00000  -0.00002  -0.00001  -0.00003   2.10018
   R59        2.81781   0.00000   0.00000   0.00000   0.00000   2.81781
   R60        2.06261   0.00000   0.00001  -0.00001   0.00000   2.06261
    A1        1.93003  -0.00002  -0.00005  -0.00002  -0.00007   1.92996
    A2        1.93854   0.00000  -0.00004   0.00005   0.00001   1.93854
    A3        1.92353  -0.00001  -0.00006  -0.00001  -0.00008   1.92345
    A4        1.74512   0.00000   0.00000  -0.00002  -0.00002   1.74510
    A5        1.88891   0.00000   0.00003   0.00000   0.00003   1.88895
    A6        1.98854   0.00000  -0.00001  -0.00001  -0.00002   1.98852
    A7        2.00929   0.00000  -0.00003   0.00001  -0.00002   2.00927
    A8        1.90189   0.00000   0.00002   0.00004   0.00005   1.90195
    A9        1.92608   0.00000  -0.00001  -0.00002  -0.00003   1.92605
   A10        1.93639   0.00000  -0.00001   0.00000  -0.00001   1.93638
   A11        1.81761   0.00000  -0.00004   0.00002  -0.00002   1.81759
   A12        1.88718   0.00000   0.00004  -0.00003   0.00002   1.88720
   A13        2.07568   0.00000   0.00005  -0.00002   0.00003   2.07571
   A14        1.88037   0.00001  -0.00003   0.00004   0.00001   1.88037
   A15        1.85831   0.00000  -0.00002   0.00000  -0.00002   1.85829
   A16        1.89628   0.00000   0.00000   0.00001   0.00001   1.89629
   A17        1.93897   0.00000  -0.00003   0.00000  -0.00003   1.93894
   A18        1.90838   0.00000  -0.00001  -0.00001  -0.00002   1.90836
   A19        1.94757   0.00000   0.00001   0.00000   0.00001   1.94758
   A20        1.86950   0.00000  -0.00002   0.00003   0.00001   1.86951
   A21        1.90158   0.00000   0.00004  -0.00002   0.00002   1.90160
   A22        1.88673   0.00000   0.00001   0.00000   0.00001   1.88675
   A23        1.80534   0.00000   0.00007  -0.00006   0.00001   1.80535
   A24        1.82425   0.00000   0.00000  -0.00002  -0.00002   1.82423
   A25        1.97979   0.00000  -0.00009   0.00005  -0.00005   1.97974
   A26        1.94461   0.00000   0.00005  -0.00001   0.00004   1.94465
   A27        2.00638   0.00000  -0.00003   0.00003   0.00000   2.00638
   A28        1.92013   0.00000   0.00004   0.00000   0.00003   1.92016
   A29        1.97512   0.00000  -0.00008  -0.00002  -0.00011   1.97501
   A30        1.79255   0.00000   0.00000  -0.00001  -0.00001   1.79254
   A31        1.82406   0.00000  -0.00002  -0.00001  -0.00003   1.82403
   A32        1.98884   0.00001   0.00011   0.00004   0.00015   1.98899
   A33        1.96783  -0.00001  -0.00004   0.00001  -0.00003   1.96780
   A34        1.83238   0.00000  -0.00002   0.00002   0.00000   1.83238
   A35        1.94831   0.00000   0.00004  -0.00001   0.00003   1.94834
   A36        1.94973   0.00000  -0.00007   0.00002  -0.00005   1.94968
   A37        1.92933   0.00000   0.00006  -0.00001   0.00005   1.92939
   A38        1.95455   0.00000  -0.00003   0.00001  -0.00002   1.95453
   A39        1.85175   0.00000   0.00002  -0.00003  -0.00001   1.85174
   A40        1.96257   0.00000  -0.00001   0.00002   0.00001   1.96258
   A41        1.92661   0.00000   0.00002   0.00001   0.00003   1.92664
   A42        1.91986   0.00000  -0.00002  -0.00004  -0.00006   1.91980
   A43        1.92115   0.00000  -0.00003   0.00002  -0.00001   1.92115
   A44        1.88252   0.00000   0.00003   0.00000   0.00003   1.88255
   A45        1.84707   0.00000   0.00001   0.00000   0.00000   1.84708
   A46        1.85364   0.00000   0.00000  -0.00002  -0.00001   1.85363
   A47        1.96746   0.00000  -0.00002   0.00001  -0.00001   1.96745
   A48        1.87358   0.00000  -0.00001  -0.00002  -0.00002   1.87356
   A49        1.97262   0.00000   0.00001   0.00001   0.00003   1.97264
   A50        1.89951   0.00000  -0.00003   0.00001  -0.00002   1.89950
   A51        1.89363   0.00000   0.00003   0.00000   0.00003   1.89366
   A52        1.94009  -0.00001  -0.00014   0.00003  -0.00011   1.93998
   A53        1.81642   0.00001   0.00006   0.00000   0.00006   1.81648
   A54        1.88120   0.00000   0.00004  -0.00003   0.00001   1.88121
   A55        2.00724   0.00000  -0.00002   0.00002   0.00000   2.00724
   A56        1.90714   0.00000   0.00004  -0.00002   0.00002   1.90716
   A57        1.90654   0.00000   0.00003  -0.00001   0.00002   1.90656
   A58        1.88242   0.00000   0.00008   0.00000   0.00008   1.88250
   A59        1.96822   0.00000   0.00005   0.00002   0.00007   1.96829
   A60        1.91306   0.00000  -0.00004   0.00000  -0.00004   1.91303
   A61        1.87028   0.00000  -0.00008   0.00001  -0.00007   1.87021
   A62        1.96040   0.00000  -0.00001   0.00000  -0.00002   1.96038
   A63        1.87048   0.00000  -0.00001  -0.00002  -0.00003   1.87044
   A64        1.95495   0.00000  -0.00001   0.00002   0.00002   1.95496
   A65        1.91269   0.00000   0.00002   0.00000   0.00002   1.91270
   A66        1.92757   0.00000   0.00001   0.00001   0.00002   1.92759
   A67        1.91120   0.00000   0.00000  -0.00001  -0.00001   1.91118
   A68        1.91156   0.00000   0.00000  -0.00002  -0.00002   1.91154
   A69        1.84250   0.00000  -0.00001  -0.00001  -0.00002   1.84248
   A70        1.97112   0.00000   0.00000   0.00000   0.00000   1.97112
   A71        1.95125   0.00000  -0.00001   0.00001   0.00000   1.95125
   A72        1.93857   0.00001   0.00003   0.00001   0.00004   1.93861
   A73        1.87328   0.00001  -0.00001   0.00001   0.00000   1.87328
   A74        1.88512   0.00000  -0.00004  -0.00001  -0.00005   1.88507
   A75        1.83789   0.00000   0.00003  -0.00001   0.00002   1.83791
   A76        1.94122   0.00000   0.00005   0.00004   0.00009   1.94131
   A77        1.92879   0.00000   0.00000  -0.00001  -0.00001   1.92878
   A78        1.90897   0.00000   0.00001  -0.00003  -0.00002   1.90894
   A79        1.91232   0.00000  -0.00005   0.00000  -0.00005   1.91227
   A80        1.93738   0.00000   0.00000   0.00000  -0.00001   1.93737
   A81        1.83234   0.00000  -0.00001   0.00000  -0.00001   1.83233
   A82        2.01828   0.00000   0.00004   0.00001   0.00005   2.01832
   A83        2.14139   0.00000  -0.00003   0.00000  -0.00003   2.14136
   A84        2.12336   0.00000  -0.00002  -0.00001  -0.00002   2.12334
   A85        2.13910  -0.00001   0.00001  -0.00001  -0.00001   2.13909
   A86        2.11619  -0.00001  -0.00004   0.00000  -0.00004   2.11616
   A87        2.02771   0.00002   0.00003   0.00001   0.00004   2.02775
   A88        1.94121   0.00000   0.00003  -0.00002   0.00002   1.94122
   A89        1.93867   0.00000   0.00003  -0.00001   0.00002   1.93869
   A90        1.96624   0.00001  -0.00005   0.00004  -0.00002   1.96623
   A91        1.87010   0.00000  -0.00004   0.00002  -0.00002   1.87008
   A92        1.87110  -0.00001   0.00000  -0.00004  -0.00004   1.87106
   A93        1.87189   0.00000   0.00003   0.00001   0.00003   1.87193
   A94        1.95311   0.00001   0.00000   0.00002   0.00002   1.95313
   A95        1.96185   0.00000   0.00001   0.00001   0.00002   1.96187
   A96        1.93502   0.00000   0.00000   0.00000   0.00000   1.93502
   A97        1.86226  -0.00001   0.00000  -0.00002  -0.00003   1.86224
   A98        1.87994   0.00000  -0.00004  -0.00002  -0.00006   1.87988
   A99        1.86692   0.00000   0.00004   0.00001   0.00005   1.86696
   A100       2.16353   0.00000  -0.00002   0.00000  -0.00001   2.16352
   A101       2.01018   0.00000   0.00001  -0.00001   0.00000   2.01018
   A102       2.10929   0.00000   0.00001   0.00000   0.00001   2.10931
   A103       2.14821   0.00000   0.00002  -0.00001   0.00002   2.14822
   A104       2.13967   0.00000   0.00000  -0.00001  -0.00001   2.13966
   A105       1.99523   0.00000  -0.00002   0.00002  -0.00001   1.99523
   A106       1.94647  -0.00001  -0.00013  -0.00006  -0.00020   1.94628
   A107       1.82659   0.00000  -0.00008  -0.00002  -0.00010   1.82649
   A108       1.90512   0.00001   0.00024   0.00010   0.00034   1.90547
   A109       1.96801   0.00000   0.00009   0.00000   0.00010   1.96811
   A110       1.92461   0.00000  -0.00006  -0.00003  -0.00009   1.92452
   A111       1.88946   0.00000  -0.00006   0.00002  -0.00004   1.88942
   A112       2.13164   0.00000  -0.00001   0.00000   0.00000   2.13164
   A113       2.14724   0.00000   0.00003  -0.00001   0.00001   2.14725
   A114       2.00430   0.00000  -0.00002   0.00001  -0.00001   2.00429
   A115       2.14181   0.00000   0.00001   0.00000   0.00001   2.14182
   A116       2.12400   0.00000   0.00001  -0.00001   0.00000   2.12400
   A117       2.01737   0.00000  -0.00002   0.00001  -0.00001   2.01736
    D1       -1.35086   0.00000   0.00113   0.00033   0.00146  -1.34941
    D2        0.68215   0.00000   0.00108   0.00030   0.00137   0.68352
    D3        2.80876   0.00000   0.00098   0.00029   0.00127   2.81003
    D4       -1.23646   0.00000  -0.00094   0.00042  -0.00052  -1.23698
    D5        2.87631   0.00000  -0.00087   0.00038  -0.00050   2.87581
    D6        0.85311   0.00000  -0.00095   0.00039  -0.00056   0.85255
    D7        0.52481   0.00001   0.00267   0.00122   0.00389   0.52870
    D8        2.65773   0.00001   0.00266   0.00117   0.00383   2.66156
    D9       -1.60611   0.00001   0.00266   0.00123   0.00389  -1.60221
   D10        3.03474   0.00000   0.00011  -0.00004   0.00008   3.03482
   D11        0.78165   0.00000   0.00008  -0.00001   0.00007   0.78172
   D12       -1.18998   0.00000   0.00010  -0.00001   0.00009  -1.18989
   D13       -1.14029   0.00000   0.00009  -0.00004   0.00006  -1.14023
   D14        2.88981   0.00000   0.00006  -0.00001   0.00005   2.88986
   D15        0.91818   0.00000   0.00008  -0.00001   0.00007   0.91825
   D16        1.00911   0.00000   0.00010  -0.00006   0.00003   1.00914
   D17       -1.24398   0.00000   0.00006  -0.00004   0.00002  -1.24395
   D18        3.06757   0.00000   0.00008  -0.00004   0.00005   3.06762
   D19        1.45324   0.00000  -0.00014  -0.00014  -0.00028   1.45296
   D20       -0.67234   0.00000  -0.00005  -0.00010  -0.00015  -0.67249
   D21       -2.82795   0.00000  -0.00005  -0.00013  -0.00018  -2.82813
   D22       -0.56577   0.00000  -0.00016  -0.00013  -0.00030  -0.56607
   D23       -2.69136   0.00000  -0.00008  -0.00010  -0.00017  -2.69153
   D24        1.43622   0.00000  -0.00008  -0.00012  -0.00020   1.43602
   D25       -2.73999   0.00000  -0.00014  -0.00015  -0.00029  -2.74028
   D26        1.41761   0.00000  -0.00005  -0.00011  -0.00016   1.41744
   D27       -0.73800   0.00000  -0.00005  -0.00014  -0.00019  -0.73819
   D28        0.96545   0.00000  -0.00003  -0.00002  -0.00005   0.96541
   D29       -1.18737   0.00000  -0.00001  -0.00006  -0.00006  -1.18744
   D30        3.06391   0.00000  -0.00001  -0.00003  -0.00005   3.06386
   D31        2.90035   0.00000  -0.00002  -0.00003  -0.00006   2.90029
   D32        0.74752   0.00000   0.00000  -0.00008  -0.00008   0.74745
   D33       -1.28439   0.00000  -0.00001  -0.00005  -0.00006  -1.28445
   D34       -1.22133   0.00000  -0.00004   0.00001  -0.00003  -1.22135
   D35        2.90903   0.00000  -0.00001  -0.00003  -0.00004   2.90899
   D36        0.87713   0.00000  -0.00002  -0.00001  -0.00003   0.87710
   D37        1.01892   0.00000   0.00019  -0.00059  -0.00040   1.01852
   D38        3.13379   0.00000   0.00017  -0.00058  -0.00041   3.13338
   D39       -1.10204   0.00000   0.00021  -0.00058  -0.00037  -1.10240
   D40       -0.91290   0.00000   0.00017  -0.00058  -0.00041  -0.91331
   D41        1.20197   0.00000   0.00015  -0.00057  -0.00041   1.20155
   D42       -3.03387   0.00000   0.00020  -0.00057  -0.00037  -3.03423
   D43       -3.13523   0.00000   0.00021  -0.00061  -0.00039  -3.13563
   D44       -1.02036   0.00000   0.00019  -0.00059  -0.00040  -1.02077
   D45        1.02699   0.00000   0.00024  -0.00060  -0.00036   1.02664
   D46        1.08587   0.00000   0.00004  -0.00002   0.00002   1.08589
   D47       -3.04847   0.00000   0.00004  -0.00002   0.00002  -3.04844
   D48       -0.94904   0.00000   0.00007  -0.00005   0.00002  -0.94902
   D49       -3.09079   0.00000   0.00002  -0.00002   0.00000  -3.09079
   D50       -0.94195   0.00000   0.00002  -0.00002   0.00000  -0.94194
   D51        1.15748   0.00000   0.00005  -0.00005   0.00000   1.15748
   D52       -0.97673   0.00000   0.00001  -0.00001   0.00000  -0.97673
   D53        1.17212   0.00000   0.00001   0.00000   0.00000   1.17212
   D54       -3.01164   0.00000   0.00003  -0.00004   0.00000  -3.01165
   D55       -0.59260   0.00000  -0.00007   0.00012   0.00005  -0.59255
   D56        1.49826   0.00000   0.00001   0.00012   0.00013   1.49839
   D57       -2.71468   0.00000   0.00002   0.00008   0.00010  -2.71458
   D58       -2.75836   0.00000  -0.00007   0.00013   0.00006  -2.75830
   D59       -0.66750   0.00000   0.00002   0.00013   0.00015  -0.66736
   D60        1.40274   0.00000   0.00003   0.00009   0.00012   1.40286
   D61        1.39966   0.00000  -0.00005   0.00010   0.00005   1.39971
   D62       -2.79267   0.00000   0.00004   0.00010   0.00013  -2.79253
   D63       -0.72242   0.00000   0.00005   0.00006   0.00010  -0.72232
   D64        1.11654   0.00000  -0.00014   0.00006  -0.00008   1.11646
   D65       -0.87469   0.00000  -0.00018   0.00010  -0.00008  -0.87477
   D66        3.11155   0.00000  -0.00010   0.00003  -0.00008   3.11147
   D67       -1.02713   0.00000  -0.00011   0.00005  -0.00006  -1.02719
   D68       -3.01836   0.00000  -0.00015   0.00010  -0.00005  -3.01841
   D69        0.96788   0.00000  -0.00007   0.00002  -0.00005   0.96783
   D70       -3.10692   0.00000  -0.00016   0.00006  -0.00010  -3.10702
   D71        1.18503   0.00000  -0.00020   0.00011  -0.00009   1.18493
   D72       -1.11192   0.00000  -0.00012   0.00003  -0.00009  -1.11201
   D73       -3.05418   0.00000  -0.00001   0.00005   0.00005  -3.05413
   D74        1.10422   0.00000  -0.00002   0.00005   0.00004   1.10426
   D75       -0.91843   0.00000  -0.00001   0.00006   0.00004  -0.91839
   D76       -0.93509   0.00000  -0.00002   0.00007   0.00005  -0.93505
   D77       -3.05988   0.00000  -0.00003   0.00007   0.00004  -3.05984
   D78        1.20065   0.00000  -0.00003   0.00007   0.00004   1.20069
   D79        1.12556   0.00000   0.00000   0.00009   0.00008   1.12564
   D80       -0.99923   0.00000  -0.00001   0.00009   0.00007  -0.99916
   D81       -3.02188   0.00000  -0.00001   0.00009   0.00008  -3.02181
   D82        2.93943  -0.00001   0.00025  -0.00019   0.00007   2.93949
   D83       -1.28566   0.00000   0.00022  -0.00015   0.00007  -1.28559
   D84        0.86536   0.00000   0.00027  -0.00016   0.00011   0.86547
   D85       -1.30425   0.00000   0.00026  -0.00020   0.00007  -1.30419
   D86        0.75384   0.00000   0.00023  -0.00016   0.00007   0.75391
   D87        2.90487   0.00000   0.00028  -0.00017   0.00011   2.90498
   D88        0.96195   0.00000   0.00022  -0.00014   0.00008   0.96203
   D89        3.02005   0.00000   0.00019  -0.00010   0.00008   3.02013
   D90       -1.11211   0.00000   0.00024  -0.00011   0.00013  -1.11199
   D91        1.08664   0.00000   0.00024  -0.00007   0.00016   1.08680
   D92       -3.13491   0.00000   0.00023  -0.00005   0.00017  -3.13474
   D93       -1.05267   0.00000   0.00022  -0.00007   0.00015  -1.05252
   D94       -0.94687   0.00000   0.00020  -0.00006   0.00014  -0.94673
   D95        1.11476   0.00000   0.00019  -0.00004   0.00015   1.11491
   D96       -3.08618   0.00000   0.00018  -0.00005   0.00013  -3.08605
   D97        3.05301   0.00000   0.00030  -0.00014   0.00016   3.05317
   D98       -1.16854   0.00000   0.00030  -0.00012   0.00017  -1.16837
   D99        0.91370   0.00000   0.00029  -0.00014   0.00015   0.91386
   D100      -1.76131   0.00000   0.00001   0.00021   0.00021  -1.76109
   D101       0.40787   0.00000   0.00002   0.00022   0.00023   0.40810
   D102       2.49214   0.00000   0.00004   0.00021   0.00025   2.49239
   D103       0.32768   0.00000   0.00000   0.00018   0.00018   0.32786
   D104       2.49685   0.00000   0.00000   0.00019   0.00020   2.49705
   D105      -1.70206   0.00000   0.00003   0.00018   0.00022  -1.70185
   D106       2.49679   0.00000   0.00009   0.00023   0.00032   2.49711
   D107      -1.61723   0.00000   0.00010   0.00024   0.00034  -1.61689
   D108       0.46705   0.00000   0.00013   0.00023   0.00036   0.46740
   D109      -2.63545   0.00000  -0.00083   0.00005  -0.00078  -2.63622
   D110       0.48579   0.00000  -0.00086   0.00004  -0.00083   0.48496
   D111       1.57163   0.00000  -0.00093   0.00004  -0.00089   1.57074
   D112      -1.59032   0.00000  -0.00096   0.00003  -0.00093  -1.59126
   D113      -0.50389   0.00000  -0.00095   0.00002  -0.00093  -0.50482
   D114       2.61734   0.00000  -0.00098   0.00001  -0.00098   2.61636
   D115       0.15880   0.00000   0.00005  -0.00019  -0.00013   0.15867
   D116      -2.00717   0.00000   0.00006  -0.00019  -0.00013  -2.00730
   D117       2.17101   0.00000   0.00003  -0.00021  -0.00018   2.17084
   D118      -1.94465   0.00000  -0.00002  -0.00018  -0.00020  -1.94485
   D119       2.17256   0.00000  -0.00001  -0.00019  -0.00020   2.17236
   D120       0.06756   0.00000  -0.00004  -0.00021  -0.00025   0.06732
   D121       2.27773   0.00000  -0.00007  -0.00014  -0.00021   2.27752
   D122       0.11176   0.00000  -0.00006  -0.00015  -0.00021   0.11155
   D123      -1.99324   0.00000  -0.00009  -0.00016  -0.00025  -1.99350
   D124       1.32528  -0.00001  -0.00026   0.00016  -0.00010   1.32518
   D125      -0.80122   0.00000  -0.00012   0.00011   0.00000  -0.80123
   D126      -2.95256   0.00000  -0.00018   0.00013  -0.00004  -2.95261
   D127      -2.80203   0.00000  -0.00026   0.00020  -0.00006  -2.80209
   D128       1.35465   0.00000  -0.00012   0.00015   0.00003   1.35469
   D129      -0.79669   0.00000  -0.00017   0.00017  -0.00001  -0.79670
   D130      -0.79461   0.00000  -0.00025   0.00020  -0.00005  -0.79466
   D131      -2.92112   0.00001  -0.00011   0.00015   0.00005  -2.92107
   D132       1.21073   0.00000  -0.00017   0.00017   0.00001   1.21073
   D133       0.95208   0.00000  -0.00036   0.00004  -0.00032   0.95176
   D134       3.03343   0.00000  -0.00037   0.00005  -0.00032   3.03311
   D135      -1.14923   0.00000  -0.00035   0.00008  -0.00028  -1.14950
   D136       3.05431   0.00000  -0.00036   0.00003  -0.00032   3.05398
   D137      -1.14753   0.00000  -0.00037   0.00004  -0.00032  -1.14785
   D138       0.95300   0.00000  -0.00035   0.00007  -0.00028   0.95272
   D139      -1.12053   0.00000  -0.00036   0.00006  -0.00031  -1.12084
   D140       0.96082   0.00000  -0.00037   0.00007  -0.00031   0.96051
   D141       3.06134   0.00000  -0.00035   0.00009  -0.00026   3.06108
   D142       0.96777   0.00000  -0.00025   0.00000  -0.00025   0.96751
   D143      -2.19302   0.00000  -0.00043  -0.00001  -0.00044  -2.19346
   D144      -1.15578   0.00000  -0.00032  -0.00003  -0.00034  -1.15613
   D145       1.96662   0.00000  -0.00050  -0.00003  -0.00053   1.96609
   D146       3.07774   0.00000  -0.00025   0.00000  -0.00025   3.07749
   D147      -0.08305   0.00000  -0.00043  -0.00001  -0.00044  -0.08349
   D148      -0.87951   0.00000   0.00007  -0.00025  -0.00019  -0.87969
   D149       1.21580   0.00000   0.00007  -0.00026  -0.00019   1.21560
   D150      -2.97879   0.00000   0.00012  -0.00024  -0.00012  -2.97891
   D151       1.18923   0.00000   0.00015  -0.00024  -0.00009   1.18914
   D152      -2.99865   0.00000   0.00015  -0.00025  -0.00010  -2.99875
   D153      -0.91005   0.00000   0.00021  -0.00023  -0.00003  -0.91008
   D154      -2.98627   0.00000   0.00009  -0.00025  -0.00016  -2.98644
   D155      -0.89097   0.00000   0.00009  -0.00026  -0.00017  -0.89114
   D156       1.19763   0.00000   0.00014  -0.00024  -0.00010   1.19753
   D157       2.17110   0.00000   0.00053   0.00001   0.00054   2.17164
   D158      -0.99052   0.00000   0.00058  -0.00002   0.00056  -0.98996
   D159       0.07885   0.00000   0.00046   0.00001   0.00047   0.07933
   D160      -3.08277   0.00000   0.00051  -0.00002   0.00050  -3.08228
   D161      -1.97069   0.00000   0.00057   0.00001   0.00058  -1.97011
   D162       1.15087   0.00000   0.00062  -0.00001   0.00061   1.15148
   D163       0.90937   0.00000   0.00000  -0.00011  -0.00011   0.90926
   D164      -1.21873   0.00000   0.00003  -0.00014  -0.00010  -1.21883
   D165       3.05556   0.00000   0.00004  -0.00011  -0.00007   3.05549
   D166       3.03501   0.00000   0.00002  -0.00011  -0.00008   3.03493
   D167       0.90691   0.00000   0.00005  -0.00013  -0.00008   0.90684
   D168      -1.10199   0.00000   0.00006  -0.00011  -0.00004  -1.10203
   D169      -1.23547   0.00000   0.00001  -0.00013  -0.00013  -1.23559
   D170       2.91962   0.00000   0.00003  -0.00016  -0.00012   2.91950
   D171       0.91072   0.00000   0.00004  -0.00013  -0.00009   0.91063
   D172      -0.96066   0.00000   0.00015   0.00009   0.00024  -0.96042
   D173       2.19991   0.00000   0.00033   0.00010   0.00042   2.20033
   D174       1.17698   0.00000   0.00014   0.00011   0.00025   1.17723
   D175      -1.94564   0.00000   0.00032   0.00012   0.00044  -1.94520
   D176      -3.09045   0.00000   0.00011   0.00010   0.00021  -3.09024
   D177       0.07012   0.00000   0.00028   0.00011   0.00039   0.07051
   D178       0.02751   0.00000  -0.00018   0.00003  -0.00015   0.02736
   D179      -3.12852   0.00000  -0.00004   0.00000  -0.00004  -3.12856
   D180      -3.13441   0.00000  -0.00037   0.00003  -0.00034  -3.13476
   D181      -0.00726   0.00000  -0.00023  -0.00001  -0.00024  -0.00749
   D182      -0.26660   0.00000  -0.00152  -0.00074  -0.00226  -0.26886
   D183      -2.31584   0.00000  -0.00140  -0.00067  -0.00207  -2.31791
   D184       1.85304   0.00000  -0.00134  -0.00068  -0.00202   1.85102
   D185       2.89507   0.00000  -0.00149  -0.00073  -0.00222   2.89285
   D186       0.84582   0.00000  -0.00136  -0.00066  -0.00202   0.84380
   D187      -1.26848   0.00000  -0.00131  -0.00066  -0.00197  -1.27045
   D188      -0.01832   0.00000   0.00011  -0.00003   0.00008  -0.01824
   D189       3.12714   0.00000   0.00006  -0.00003   0.00004   3.12718
   D190      -3.13880   0.00000   0.00006   0.00000   0.00006  -3.13874
   D191       0.00667   0.00000   0.00001   0.00000   0.00001   0.00668
   D192      -3.10158   0.00000   0.00067  -0.00003   0.00064  -3.10094
   D193       0.03905   0.00000   0.00076  -0.00005   0.00071   0.03976
   D194       0.05335  -0.00001   0.00054   0.00000   0.00054   0.05390
   D195      -3.08920   0.00000   0.00063  -0.00002   0.00061  -3.08859
   D196       3.09665   0.00000  -0.00064   0.00003  -0.00061   3.09604
   D197      -0.04399   0.00000  -0.00073   0.00005  -0.00068  -0.04467
   D198      -0.04852   0.00001  -0.00059   0.00002  -0.00057  -0.04908
   D199       3.09402   0.00000  -0.00068   0.00005  -0.00063   3.09339
         Item               Value     Threshold  Converged?
 Maximum Force            0.000076     0.000450     YES
 RMS     Force            0.000007     0.000300     YES
 Maximum Displacement     0.006502     0.001800     NO 
 RMS     Displacement     0.000669     0.001200     YES
 Predicted change in Energy=-7.082910D-08
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C22H29FO5
 Framework group  C1[X(C22H29FO5)]
 Deg. of freedom   165
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          9           0        1.537123    0.051486   -1.391380
      2          8           0       -3.018901    0.239768   -1.810686
      3          8           0        0.337348   -2.204243    1.136281
      4          8           0       -4.875538   -0.147783    1.047523
      5          8           0       -5.563892   -2.438449   -0.209498
      6          8           0        6.486585   -0.157474   -1.397604
      7          6           0       -1.652663   -0.133004    0.207242
      8          6           0       -0.752715    1.122045   -0.014231
      9          6           0        0.627736    0.926636    0.625136
     10          6           0        1.330964   -0.276523   -0.067186
     11          6           0       -3.009888    0.396882   -0.384045
     12          6           0       -1.627526    2.298147    0.449829
     13          6           0       -1.027711   -1.311648   -0.551023
     14          6           0       -3.078364    1.893470    0.071124
     15          6           0        0.435201   -1.561961   -0.145192
     16          6           0        2.776011   -0.508259    0.511524
     17          6           0        1.470079    2.207979    0.524780
     18          6           0       -1.859451   -0.496582    1.678872
     19          6           0        2.896001    2.000203    1.046131
     20          6           0        3.544840    0.810619    0.396666
     21          6           0       -4.239907   -0.413986    0.053052
     22          6           0       -3.693520    2.801650   -0.984408
     23          6           0        2.766012   -0.899940    2.000603
     24          6           0        3.452485   -1.637751   -0.244421
     25          6           0        4.731194    0.905805   -0.220455
     26          6           0       -4.639462   -1.564867   -0.852086
     27          6           0        4.630966   -1.522453   -0.858585
     28          6           0        5.393945   -0.241445   -0.876656
     29          1           0       -0.602531    1.253504   -1.118342
     30          1           0        0.501579    0.657674    1.705661
     31          1           0       -1.543053    2.463541    1.537258
     32          1           0       -1.325326    3.243754   -0.027270
     33          1           0       -1.096226   -1.146793   -1.645758
     34          1           0       -1.601686   -2.241442   -0.347948
     35          1           0       -3.717535    1.934066    0.991738
     36          1           0        0.895639   -2.289776   -0.857595
     37          1           0        0.981238    3.019633    1.098387
     38          1           0        1.507488    2.565829   -0.524449
     39          1           0       -2.309810    0.314442    2.259321
     40          1           0       -2.503424   -1.378097    1.794391
     41          1           0       -0.905132   -0.768835    2.157589
     42          1           0        2.891530    1.865652    2.148759
     43          1           0        3.490067    2.922258    0.871754
     44          1           0       -4.682746    2.437986   -1.294356
     45          1           0       -3.829458    3.819665   -0.598387
     46          1           0       -3.077836    2.876149   -1.887939
     47          1           0        2.156598   -0.211830    2.601072
     48          1           0        2.359499   -1.908865    2.166162
     49          1           0        3.783925   -0.892524    2.414095
     50          1           0       -2.476656    0.938753   -2.238599
     51          1           0        2.912977   -2.586554   -0.242001
     52          1           0        1.191325   -2.627621    1.386510
     53          1           0        5.283533    1.844523   -0.291082
     54          1           0       -3.783083   -2.213863   -1.124060
     55          1           0       -5.094210   -1.177580   -1.789291
     56          1           0        5.109811   -2.348785   -1.387006
     57          1           0       -6.120778   -1.932885    0.435657
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.4209549      0.1031864      0.0947851
 Standard basis: VSTO-6G (5D, 7F)
 There are   141 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   141 basis functions,   846 primitive gaussians,   141 cartesian basis functions
    77 alpha electrons       77 beta electrons
       nuclear repulsion energy      1659.8615880612 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   141 RedAO= F  NBF=   141
 NBsUse=   141 1.00D-04 NBFU=   141
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=982442.
 SCF Done:  E(RPM6) = -0.418005260596     A.U. after   10 cycles
             Convg  =    0.5164D-08             -V/T =  0.9987
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        9           0.000001263   -0.000000465    0.000006838
      2        8          -0.000002976   -0.000000216    0.000004602
      3        8          -0.000044941   -0.000020718    0.000016913
      4        8           0.000007239   -0.000000892    0.000019349
      5        8           0.000057182    0.000036046    0.000036014
      6        8           0.000003490   -0.000000664    0.000010424
      7        6          -0.000012275    0.000003050    0.000011326
      8        6           0.000015341   -0.000004853   -0.000005796
      9        6          -0.000008131    0.000001081   -0.000021162
     10        6          -0.000000942   -0.000000464   -0.000011997
     11        6           0.000018143    0.000001745   -0.000005642
     12        6           0.000006419   -0.000005810    0.000030003
     13        6           0.000014183    0.000007365    0.000001428
     14        6          -0.000015585   -0.000015062   -0.000020483
     15        6          -0.000018660   -0.000010860    0.000002320
     16        6          -0.000004112   -0.000004296   -0.000001677
     17        6           0.000002550   -0.000000173    0.000000944
     18        6          -0.000002335    0.000001853   -0.000000436
     19        6           0.000002736    0.000005033    0.000002845
     20        6           0.000001884   -0.000002710    0.000006230
     21        6          -0.000009831   -0.000005431   -0.000026526
     22        6           0.000020814   -0.000003741    0.000009156
     23        6          -0.000000008    0.000000139    0.000004099
     24        6           0.000002308    0.000002358    0.000000207
     25        6           0.000004299    0.000004535    0.000002807
     26        6          -0.000016934    0.000023075    0.000004459
     27        6           0.000007867   -0.000001898    0.000002640
     28        6          -0.000013952   -0.000000472   -0.000007939
     29        1          -0.000009142    0.000003167    0.000005001
     30        1           0.000003042   -0.000003198    0.000010508
     31        1           0.000002542   -0.000004511   -0.000008438
     32        1          -0.000005945    0.000012490   -0.000017227
     33        1          -0.000000691    0.000000917   -0.000005813
     34        1           0.000000050   -0.000004137   -0.000000359
     35        1           0.000006337    0.000002781    0.000011078
     36        1           0.000001666    0.000007732    0.000004502
     37        1          -0.000000432    0.000001621    0.000001009
     38        1           0.000000583   -0.000000411    0.000000132
     39        1           0.000005294   -0.000002871    0.000002560
     40        1           0.000002751    0.000000838    0.000003145
     41        1          -0.000002288    0.000000676   -0.000001118
     42        1          -0.000001982   -0.000000437   -0.000003017
     43        1           0.000000475   -0.000000519   -0.000001328
     44        1          -0.000002639    0.000005286    0.000003313
     45        1           0.000002237    0.000000568   -0.000000950
     46        1          -0.000015942   -0.000000650   -0.000006764
     47        1           0.000000811    0.000002599   -0.000000269
     48        1          -0.000002756   -0.000000447   -0.000000876
     49        1           0.000000717   -0.000000865    0.000000397
     50        1           0.000001014   -0.000001666   -0.000004091
     51        1          -0.000001488    0.000000210   -0.000000481
     52        1           0.000050462    0.000018816   -0.000017445
     53        1          -0.000000421   -0.000002458   -0.000006375
     54        1           0.000003992    0.000001526    0.000002668
     55        1          -0.000006104   -0.000004122    0.000000373
     56        1          -0.000000815    0.000000757   -0.000006272
     57        1          -0.000046365   -0.000041247   -0.000034806
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000057182 RMS     0.000012386

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.000070450 RMS     0.000005747
 Search for a local minimum.
 Step number  30 out of a maximum of  342
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   19   20   21   22   23
                                                     24   25   26   27   28
                                                     29   30
 DE= -1.10D-07 DEPred=-7.08D-08 R= 1.56D+00
 Trust test= 1.56D+00 RLast= 9.70D-03 DXMaxT set to 1.86D+00
     Eigenvalues ---    0.00078   0.00110   0.00173   0.00200   0.00256
     Eigenvalues ---    0.00276   0.00403   0.00468   0.00494   0.00523
     Eigenvalues ---    0.00608   0.00695   0.00743   0.00847   0.01235
     Eigenvalues ---    0.01401   0.01461   0.01542   0.01691   0.01769
     Eigenvalues ---    0.02096   0.02220   0.02339   0.02386   0.02609
     Eigenvalues ---    0.03060   0.03414   0.03745   0.03791   0.03939
     Eigenvalues ---    0.04084   0.04141   0.04288   0.04458   0.04583
     Eigenvalues ---    0.04707   0.04802   0.04872   0.04953   0.05029
     Eigenvalues ---    0.05106   0.05189   0.05240   0.05293   0.05341
     Eigenvalues ---    0.05362   0.05432   0.05532   0.05545   0.05637
     Eigenvalues ---    0.05797   0.05960   0.06141   0.06278   0.06830
     Eigenvalues ---    0.06934   0.07027   0.07078   0.07154   0.07390
     Eigenvalues ---    0.07790   0.08041   0.08119   0.08317   0.08341
     Eigenvalues ---    0.08376   0.09076   0.09266   0.09413   0.10679
     Eigenvalues ---    0.11264   0.11793   0.12025   0.12907   0.13369
     Eigenvalues ---    0.13812   0.14377   0.15014   0.15109   0.15506
     Eigenvalues ---    0.15817   0.15904   0.15953   0.16001   0.16006
     Eigenvalues ---    0.16016   0.16024   0.16049   0.16077   0.16151
     Eigenvalues ---    0.16250   0.16433   0.16906   0.17137   0.17798
     Eigenvalues ---    0.18945   0.19350   0.19788   0.20294   0.21106
     Eigenvalues ---    0.21371   0.22349   0.22949   0.23528   0.24131
     Eigenvalues ---    0.24923   0.25284   0.25346   0.25687   0.26592
     Eigenvalues ---    0.26747   0.27693   0.27848   0.27944   0.28401
     Eigenvalues ---    0.29069   0.29235   0.29852   0.30397   0.31087
     Eigenvalues ---    0.31328   0.32279   0.32552   0.32554   0.33522
     Eigenvalues ---    0.33576   0.33871   0.33899   0.33925   0.34032
     Eigenvalues ---    0.34060   0.34090   0.34112   0.34127   0.34192
     Eigenvalues ---    0.34218   0.34257   0.34283   0.34317   0.34352
     Eigenvalues ---    0.34370   0.34407   0.34499   0.34526   0.34664
     Eigenvalues ---    0.34724   0.35111   0.35174   0.35438   0.35535
     Eigenvalues ---    0.35773   0.37790   0.39803   0.42751   0.44387
     Eigenvalues ---    0.46686   0.48570   0.50656   0.52071   0.53557
     Eigenvalues ---    0.54315   0.58178   0.59040   0.89619   0.92607
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    30   29   28   27   26
 RFO step:  Lambda=-2.18381959D-08.
 DIIS coeffs:      2.03445     -1.19557     -0.33433      0.65126     -0.15581
 Iteration  1 RMS(Cart)=  0.00042896 RMS(Int)=  0.00000040
 Iteration  2 RMS(Cart)=  0.00000055 RMS(Int)=  0.00000003
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.60726   0.00001   0.00001   0.00002   0.00002   2.60728
    R2        2.71231   0.00000   0.00002   0.00001   0.00003   2.71235
    R3        1.85705   0.00000  -0.00001   0.00000  -0.00001   1.85704
    R4        2.71508   0.00000   0.00003  -0.00002   0.00001   2.71509
    R5        1.86226   0.00006   0.00008   0.00003   0.00010   1.86236
    R6        2.28639  -0.00002  -0.00002  -0.00001  -0.00003   2.28636
    R7        2.69287  -0.00001  -0.00007  -0.00001  -0.00008   2.69279
    R8        1.87259   0.00007   0.00013   0.00003   0.00015   1.87274
    R9        2.29296   0.00001   0.00001   0.00000   0.00001   2.29297
   R10        2.94828   0.00000   0.00002  -0.00001   0.00001   2.94829
   R11        2.97142  -0.00001  -0.00008   0.00002  -0.00006   2.97135
   R12        2.89981   0.00000   0.00002   0.00000   0.00001   2.89982
   R13        2.89112   0.00000   0.00001  -0.00003  -0.00002   2.89110
   R14        2.89851   0.00000   0.00002  -0.00001   0.00001   2.89851
   R15        2.90543   0.00000   0.00002  -0.00001   0.00001   2.90544
   R16        2.12028   0.00000  -0.00001   0.00001   0.00000   2.12028
   R17        2.94059   0.00000   0.00003  -0.00003  -0.00001   2.94058
   R18        2.90395   0.00000   0.00002  -0.00002   0.00000   2.90394
   R19        2.11766  -0.00001  -0.00004  -0.00001  -0.00005   2.11761
   R20        2.96442   0.00000   0.00003  -0.00001   0.00002   2.96444
   R21        2.97400   0.00000  -0.00006   0.00002  -0.00004   2.97396
   R22        2.95888   0.00001   0.00004  -0.00001   0.00003   2.95892
   R23        2.90398   0.00001  -0.00002   0.00002   0.00000   2.90397
   R24        2.93493   0.00000  -0.00001   0.00000  -0.00001   2.93492
   R25        2.08470   0.00001  -0.00004   0.00003  -0.00002   2.08468
   R26        2.08138  -0.00002   0.00002  -0.00003  -0.00001   2.08137
   R27        2.90764  -0.00001  -0.00001  -0.00004  -0.00005   2.90759
   R28        2.09608  -0.00001  -0.00001  -0.00001  -0.00002   2.09606
   R29        2.10024   0.00000  -0.00001   0.00001   0.00000   2.10023
   R30        2.87670   0.00000  -0.00003   0.00002  -0.00001   2.87669
   R31        2.11929  -0.00001  -0.00002  -0.00001  -0.00003   2.11926
   R32        2.11213   0.00001  -0.00001   0.00001   0.00000   2.11214
   R33        2.89303   0.00000   0.00002  -0.00003  -0.00001   2.89302
   R34        2.90973   0.00000   0.00002  -0.00002  -0.00001   2.90972
   R35        2.86891   0.00000   0.00001   0.00002   0.00003   2.86894
   R36        2.89581   0.00000   0.00000  -0.00001  -0.00001   2.89580
   R37        2.09306   0.00000   0.00000   0.00000  -0.00001   2.09305
   R38        2.09610   0.00000   0.00002  -0.00001   0.00001   2.09611
   R39        2.06794   0.00000   0.00000  -0.00001  -0.00001   2.06793
   R40        2.07450   0.00000  -0.00001   0.00000  -0.00001   2.07449
   R41        2.08215   0.00000   0.00001   0.00000   0.00001   2.08216
   R42        2.83957   0.00000   0.00001  -0.00004  -0.00003   2.83954
   R43        2.09914   0.00000   0.00001   0.00000   0.00001   2.09915
   R44        2.09879   0.00000   0.00000   0.00000   0.00000   2.09880
   R45        2.53346   0.00000   0.00001  -0.00001   0.00000   2.53345
   R46        2.86806   0.00002   0.00006   0.00004   0.00010   2.86816
   R47        2.07602   0.00001   0.00000   0.00001   0.00001   2.07603
   R48        2.07341   0.00000  -0.00001   0.00000  -0.00001   2.07340
   R49        2.07094  -0.00001  -0.00002  -0.00001  -0.00003   2.07091
   R50        2.07478   0.00000  -0.00001   0.00000  -0.00001   2.07477
   R51        2.07921   0.00000  -0.00001   0.00000  -0.00001   2.07920
   R52        2.07627   0.00000   0.00001  -0.00001   0.00001   2.07628
   R53        2.52072   0.00000   0.00000   0.00000   0.00000   2.52072
   R54        2.06258   0.00000  -0.00002   0.00001  -0.00001   2.06257
   R55        2.79400   0.00000  -0.00002   0.00000  -0.00001   2.79398
   R56        2.06254   0.00000   0.00002  -0.00001   0.00001   2.06255
   R57        2.09457   0.00000   0.00000   0.00001   0.00001   2.09458
   R58        2.10018   0.00000  -0.00001  -0.00001  -0.00002   2.10016
   R59        2.81781   0.00000   0.00000   0.00000  -0.00001   2.81781
   R60        2.06261   0.00000   0.00000   0.00000   0.00000   2.06261
    A1        1.92996  -0.00001  -0.00008   0.00000  -0.00008   1.92988
    A2        1.93854   0.00000   0.00000  -0.00003  -0.00003   1.93851
    A3        1.92345   0.00000  -0.00007  -0.00003  -0.00010   1.92335
    A4        1.74510   0.00000  -0.00002   0.00001  -0.00001   1.74510
    A5        1.88895   0.00000   0.00004   0.00000   0.00004   1.88899
    A6        1.98852   0.00000   0.00000  -0.00001  -0.00002   1.98851
    A7        2.00927   0.00000  -0.00001   0.00002   0.00001   2.00928
    A8        1.90195   0.00000   0.00002  -0.00002   0.00000   1.90195
    A9        1.92605   0.00000  -0.00003   0.00000  -0.00003   1.92602
   A10        1.93638   0.00000   0.00001   0.00000   0.00001   1.93639
   A11        1.81759   0.00000  -0.00002   0.00001  -0.00001   1.81758
   A12        1.88720   0.00000  -0.00002  -0.00003  -0.00004   1.88716
   A13        2.07571   0.00000   0.00001  -0.00001   0.00000   2.07571
   A14        1.88037   0.00001   0.00004   0.00002   0.00006   1.88043
   A15        1.85829   0.00000  -0.00003   0.00001  -0.00002   1.85828
   A16        1.89629   0.00000  -0.00001  -0.00001  -0.00002   1.89627
   A17        1.93894   0.00000  -0.00003   0.00000  -0.00003   1.93892
   A18        1.90836   0.00000  -0.00001   0.00004   0.00003   1.90839
   A19        1.94758   0.00000   0.00000  -0.00002  -0.00002   1.94756
   A20        1.86951   0.00000   0.00002   0.00001   0.00003   1.86954
   A21        1.90160   0.00000   0.00001  -0.00001   0.00001   1.90161
   A22        1.88675   0.00000   0.00001  -0.00001   0.00000   1.88674
   A23        1.80535   0.00000  -0.00001   0.00001   0.00000   1.80534
   A24        1.82423   0.00000  -0.00003   0.00002  -0.00001   1.82423
   A25        1.97974   0.00000  -0.00001   0.00001   0.00000   1.97974
   A26        1.94465   0.00000   0.00002  -0.00003  -0.00001   1.94464
   A27        2.00638   0.00000   0.00001   0.00000   0.00002   2.00640
   A28        1.92016   0.00000   0.00003  -0.00001   0.00002   1.92019
   A29        1.97501   0.00000  -0.00008   0.00000  -0.00008   1.97493
   A30        1.79254   0.00000  -0.00002   0.00000  -0.00002   1.79252
   A31        1.82403   0.00000  -0.00002   0.00000  -0.00002   1.82401
   A32        1.98899   0.00000   0.00012  -0.00001   0.00011   1.98909
   A33        1.96780   0.00000  -0.00003   0.00002  -0.00001   1.96779
   A34        1.83238   0.00000   0.00000   0.00001   0.00001   1.83239
   A35        1.94834   0.00000   0.00001  -0.00001   0.00001   1.94835
   A36        1.94968   0.00000   0.00000   0.00001   0.00001   1.94969
   A37        1.92939   0.00000   0.00004  -0.00001   0.00003   1.92941
   A38        1.95453   0.00000   0.00000   0.00001   0.00001   1.95454
   A39        1.85174   0.00000  -0.00005  -0.00001  -0.00007   1.85167
   A40        1.96258   0.00000   0.00001   0.00002   0.00003   1.96261
   A41        1.92664   0.00000   0.00002   0.00000   0.00002   1.92666
   A42        1.91980   0.00000  -0.00007   0.00001  -0.00006   1.91975
   A43        1.92115   0.00000   0.00000  -0.00001  -0.00001   1.92113
   A44        1.88255   0.00000   0.00003  -0.00002   0.00001   1.88256
   A45        1.84708   0.00000   0.00000   0.00001   0.00001   1.84708
   A46        1.85363   0.00000  -0.00002   0.00000  -0.00002   1.85361
   A47        1.96745   0.00000  -0.00002   0.00001  -0.00002   1.96744
   A48        1.87356   0.00000  -0.00001  -0.00002  -0.00003   1.87353
   A49        1.97264   0.00000   0.00002   0.00001   0.00002   1.97267
   A50        1.89950   0.00000   0.00001   0.00001   0.00001   1.89951
   A51        1.89366   0.00000   0.00002   0.00000   0.00003   1.89369
   A52        1.93998  -0.00001  -0.00009   0.00003  -0.00007   1.93991
   A53        1.81648   0.00001   0.00007  -0.00003   0.00004   1.81652
   A54        1.88121   0.00000   0.00000  -0.00003  -0.00003   1.88119
   A55        2.00724   0.00000   0.00001   0.00003   0.00004   2.00728
   A56        1.90716   0.00000   0.00001   0.00001   0.00002   1.90717
   A57        1.90656   0.00000   0.00001  -0.00002  -0.00001   1.90656
   A58        1.88250   0.00000   0.00004  -0.00002   0.00002   1.88252
   A59        1.96829   0.00000   0.00007  -0.00003   0.00004   1.96833
   A60        1.91303   0.00000  -0.00002   0.00005   0.00003   1.91306
   A61        1.87021   0.00000  -0.00003  -0.00002  -0.00005   1.87016
   A62        1.96038   0.00000  -0.00001   0.00000   0.00000   1.96038
   A63        1.87044   0.00000  -0.00006   0.00001  -0.00004   1.87040
   A64        1.95496   0.00000   0.00002   0.00000   0.00002   1.95499
   A65        1.91270   0.00000   0.00001  -0.00002  -0.00001   1.91269
   A66        1.92759   0.00000   0.00002  -0.00001   0.00000   1.92759
   A67        1.91118   0.00000   0.00000   0.00001   0.00000   1.91119
   A68        1.91154   0.00000  -0.00003   0.00001  -0.00001   1.91152
   A69        1.84248   0.00000  -0.00002   0.00001  -0.00001   1.84247
   A70        1.97112   0.00000  -0.00002  -0.00001  -0.00003   1.97109
   A71        1.95125   0.00000   0.00000  -0.00001  -0.00001   1.95124
   A72        1.93861   0.00000   0.00005   0.00000   0.00004   1.93865
   A73        1.87328   0.00001   0.00004   0.00000   0.00005   1.87333
   A74        1.88507   0.00000  -0.00007   0.00001  -0.00005   1.88502
   A75        1.83791   0.00000   0.00000   0.00001   0.00000   1.83791
   A76        1.94131   0.00000   0.00004  -0.00001   0.00003   1.94133
   A77        1.92878   0.00000  -0.00001   0.00000  -0.00001   1.92878
   A78        1.90894   0.00000  -0.00001   0.00001   0.00000   1.90894
   A79        1.91227   0.00000  -0.00001  -0.00001  -0.00002   1.91226
   A80        1.93737   0.00000   0.00001  -0.00001   0.00000   1.93737
   A81        1.83233   0.00000  -0.00001   0.00001   0.00000   1.83233
   A82        2.01832   0.00000   0.00000  -0.00002  -0.00001   2.01831
   A83        2.14136   0.00000  -0.00001   0.00001   0.00000   2.14136
   A84        2.12334   0.00000   0.00001   0.00000   0.00001   2.12335
   A85        2.13909  -0.00001  -0.00001  -0.00001  -0.00002   2.13907
   A86        2.11616   0.00000  -0.00005   0.00002  -0.00003   2.11613
   A87        2.02775   0.00001   0.00006  -0.00001   0.00005   2.02780
   A88        1.94122   0.00000  -0.00001  -0.00001  -0.00002   1.94120
   A89        1.93869   0.00000   0.00001  -0.00001   0.00000   1.93869
   A90        1.96623   0.00001   0.00003   0.00003   0.00006   1.96629
   A91        1.87008   0.00000   0.00000   0.00001   0.00001   1.87009
   A92        1.87106  -0.00001  -0.00007  -0.00001  -0.00008   1.87099
   A93        1.87193   0.00000   0.00004  -0.00001   0.00003   1.87195
   A94        1.95313   0.00000   0.00003  -0.00001   0.00002   1.95315
   A95        1.96187   0.00000   0.00002   0.00000   0.00002   1.96188
   A96        1.93502   0.00000  -0.00001  -0.00001  -0.00002   1.93500
   A97        1.86224   0.00000  -0.00004   0.00000  -0.00004   1.86220
   A98        1.87988   0.00000  -0.00006   0.00001  -0.00004   1.87983
   A99        1.86696   0.00000   0.00005   0.00000   0.00005   1.86702
   A100       2.16352   0.00000  -0.00001   0.00000  -0.00001   2.16351
   A101       2.01018   0.00000  -0.00001   0.00001  -0.00001   2.01018
   A102       2.10931   0.00000   0.00002  -0.00001   0.00002   2.10932
   A103       2.14822   0.00000   0.00000   0.00000   0.00000   2.14823
   A104       2.13966   0.00000  -0.00002  -0.00001  -0.00003   2.13963
   A105       1.99523   0.00001   0.00002   0.00001   0.00003   1.99525
   A106       1.94628   0.00000  -0.00013  -0.00004  -0.00017   1.94610
   A107       1.82649   0.00000  -0.00003  -0.00004  -0.00008   1.82641
   A108       1.90547   0.00000   0.00021   0.00007   0.00027   1.90574
   A109       1.96811   0.00000   0.00003   0.00003   0.00006   1.96816
   A110       1.92452   0.00000  -0.00005  -0.00002  -0.00007   1.92445
   A111       1.88942   0.00000  -0.00001   0.00002   0.00001   1.88943
   A112       2.13164   0.00000   0.00000   0.00000   0.00000   2.13163
   A113       2.14725   0.00000  -0.00001   0.00000  -0.00001   2.14724
   A114       2.00429   0.00000   0.00000   0.00001   0.00001   2.00430
   A115       2.14182   0.00000   0.00001   0.00000   0.00001   2.14183
   A116       2.12400   0.00000  -0.00001   0.00000  -0.00001   2.12399
   A117       2.01736   0.00000   0.00000   0.00000   0.00001   2.01736
    D1       -1.34941   0.00000   0.00130  -0.00038   0.00093  -1.34848
    D2        0.68352   0.00000   0.00125  -0.00038   0.00087   0.68439
    D3        2.81003   0.00000   0.00116  -0.00036   0.00080   2.81083
    D4       -1.23698   0.00000  -0.00017   0.00019   0.00001  -1.23697
    D5        2.87581   0.00000  -0.00017   0.00015  -0.00002   2.87579
    D6        0.85255   0.00000  -0.00022   0.00019  -0.00002   0.85253
    D7        0.52870   0.00001   0.00230   0.00102   0.00332   0.53201
    D8        2.66156   0.00000   0.00224   0.00101   0.00324   2.66480
    D9       -1.60221   0.00001   0.00230   0.00103   0.00334  -1.59888
   D10        3.03482   0.00000   0.00007  -0.00004   0.00003   3.03484
   D11        0.78172   0.00000   0.00006  -0.00003   0.00003   0.78175
   D12       -1.18989   0.00000   0.00011  -0.00004   0.00008  -1.18982
   D13       -1.14023   0.00000   0.00007  -0.00001   0.00006  -1.14017
   D14        2.88986   0.00000   0.00006   0.00000   0.00006   2.88992
   D15        0.91825   0.00000   0.00011  -0.00001   0.00010   0.91835
   D16        1.00914   0.00000   0.00005  -0.00002   0.00003   1.00918
   D17       -1.24395   0.00000   0.00005  -0.00001   0.00004  -1.24391
   D18        3.06762   0.00000   0.00009  -0.00001   0.00008   3.06770
   D19        1.45296   0.00000  -0.00022   0.00001  -0.00021   1.45276
   D20       -0.67249   0.00000  -0.00013   0.00001  -0.00011  -0.67261
   D21       -2.82813   0.00000  -0.00015   0.00000  -0.00015  -2.82828
   D22       -0.56607   0.00000  -0.00025   0.00000  -0.00025  -0.56633
   D23       -2.69153   0.00000  -0.00016   0.00000  -0.00016  -2.69169
   D24        1.43602   0.00000  -0.00018  -0.00002  -0.00020   1.43582
   D25       -2.74028   0.00000  -0.00022  -0.00001  -0.00023  -2.74051
   D26        1.41744   0.00000  -0.00013   0.00000  -0.00013   1.41731
   D27       -0.73819   0.00000  -0.00015  -0.00002  -0.00017  -0.73836
   D28        0.96541   0.00000  -0.00008  -0.00006  -0.00014   0.96527
   D29       -1.18744   0.00000  -0.00010  -0.00005  -0.00016  -1.18759
   D30        3.06386   0.00000  -0.00007  -0.00007  -0.00014   3.06372
   D31        2.90029   0.00000  -0.00007  -0.00004  -0.00011   2.90018
   D32        0.74745   0.00000  -0.00010  -0.00003  -0.00013   0.74731
   D33       -1.28445   0.00000  -0.00007  -0.00005  -0.00012  -1.28456
   D34       -1.22135   0.00000  -0.00008  -0.00005  -0.00012  -1.22148
   D35        2.90899   0.00000  -0.00010  -0.00004  -0.00014   2.90885
   D36        0.87710   0.00000  -0.00007  -0.00005  -0.00013   0.87697
   D37        1.01852   0.00000  -0.00065  -0.00018  -0.00083   1.01769
   D38        3.13338   0.00000  -0.00061  -0.00019  -0.00080   3.13258
   D39       -1.10240   0.00000  -0.00058  -0.00019  -0.00077  -1.10317
   D40       -0.91331   0.00000  -0.00064  -0.00018  -0.00082  -0.91413
   D41        1.20155   0.00000  -0.00060  -0.00018  -0.00078   1.20077
   D42       -3.03423   0.00000  -0.00058  -0.00018  -0.00076  -3.03499
   D43       -3.13563   0.00000  -0.00062  -0.00019  -0.00081  -3.13644
   D44       -1.02077   0.00000  -0.00058  -0.00020  -0.00078  -1.02155
   D45        1.02664   0.00000  -0.00056  -0.00020  -0.00076   1.02588
   D46        1.08589   0.00000  -0.00001   0.00004   0.00002   1.08592
   D47       -3.04844   0.00000  -0.00004   0.00001  -0.00003  -3.04847
   D48       -0.94902   0.00000  -0.00004   0.00002  -0.00002  -0.94905
   D49       -3.09079   0.00000  -0.00003   0.00004   0.00001  -3.09078
   D50       -0.94194   0.00000  -0.00005   0.00001  -0.00004  -0.94199
   D51        1.15748   0.00000  -0.00005   0.00002  -0.00003   1.15744
   D52       -0.97673   0.00000  -0.00002   0.00006   0.00004  -0.97669
   D53        1.17212   0.00000  -0.00005   0.00003  -0.00002   1.17210
   D54       -3.01165   0.00000  -0.00005   0.00004  -0.00001  -3.01165
   D55       -0.59255   0.00000   0.00003   0.00003   0.00007  -0.59249
   D56        1.49839   0.00000   0.00009   0.00002   0.00011   1.49850
   D57       -2.71458   0.00000   0.00003   0.00001   0.00004  -2.71454
   D58       -2.75830   0.00000   0.00003   0.00004   0.00007  -2.75823
   D59       -0.66736   0.00000   0.00009   0.00003   0.00011  -0.66724
   D60        1.40286   0.00000   0.00003   0.00002   0.00004   1.40290
   D61        1.39971   0.00000  -0.00001   0.00001   0.00000   1.39971
   D62       -2.79253   0.00000   0.00005   0.00000   0.00005  -2.79248
   D63       -0.72232   0.00000  -0.00001  -0.00001  -0.00002  -0.72234
   D64        1.11646   0.00000  -0.00006   0.00002  -0.00003   1.11643
   D65       -0.87477   0.00000  -0.00004   0.00001  -0.00002  -0.87479
   D66        3.11147   0.00000  -0.00007   0.00003  -0.00005   3.11142
   D67       -1.02719   0.00000  -0.00002   0.00004   0.00003  -1.02716
   D68       -3.01841   0.00000   0.00000   0.00004   0.00003  -3.01838
   D69        0.96783   0.00000  -0.00004   0.00005   0.00001   0.96784
   D70       -3.10702   0.00000  -0.00005   0.00006   0.00001  -3.10701
   D71        1.18493   0.00000  -0.00004   0.00005   0.00002   1.18495
   D72       -1.11201   0.00000  -0.00007   0.00007   0.00000  -1.11202
   D73       -3.05413   0.00000   0.00009   0.00000   0.00009  -3.05404
   D74        1.10426   0.00000   0.00007   0.00001   0.00008   1.10434
   D75       -0.91839   0.00000   0.00008   0.00002   0.00009  -0.91829
   D76       -0.93505   0.00000   0.00006  -0.00002   0.00004  -0.93501
   D77       -3.05984   0.00000   0.00004  -0.00002   0.00003  -3.05982
   D78        1.20069   0.00000   0.00005  -0.00001   0.00004   1.20073
   D79        1.12564   0.00000   0.00010  -0.00003   0.00007   1.12571
   D80       -0.99916   0.00000   0.00008  -0.00003   0.00006  -0.99910
   D81       -3.02181   0.00000   0.00009  -0.00002   0.00007  -3.02174
   D82        2.93949   0.00000   0.00001  -0.00007  -0.00006   2.93943
   D83       -1.28559   0.00000   0.00003  -0.00007  -0.00003  -1.28562
   D84        0.86547   0.00000   0.00006  -0.00006   0.00000   0.86548
   D85       -1.30419   0.00000   0.00001  -0.00008  -0.00007  -1.30425
   D86        0.75391   0.00000   0.00003  -0.00007  -0.00004   0.75387
   D87        2.90498   0.00000   0.00006  -0.00007   0.00000   2.90497
   D88        0.96203   0.00000   0.00005  -0.00011  -0.00006   0.96198
   D89        3.02013   0.00000   0.00008  -0.00010  -0.00003   3.02010
   D90       -1.11199   0.00000   0.00010  -0.00010   0.00001  -1.11198
   D91        1.08680   0.00000   0.00003  -0.00009  -0.00006   1.08674
   D92       -3.13474   0.00000   0.00007  -0.00014  -0.00008  -3.13482
   D93       -1.05252   0.00000   0.00003  -0.00011  -0.00008  -1.05260
   D94       -0.94673   0.00000   0.00003  -0.00007  -0.00004  -0.94677
   D95        1.11491   0.00000   0.00006  -0.00013  -0.00007   1.11485
   D96       -3.08605   0.00000   0.00002  -0.00010  -0.00007  -3.08612
   D97        3.05317   0.00000   0.00000  -0.00006  -0.00006   3.05312
   D98       -1.16837   0.00000   0.00004  -0.00012  -0.00008  -1.16845
   D99        0.91386   0.00000   0.00000  -0.00008  -0.00009   0.91377
   D100      -1.76109   0.00000   0.00016   0.00001   0.00018  -1.76091
   D101       0.40810   0.00000   0.00016   0.00003   0.00018   0.40828
   D102       2.49239   0.00000   0.00017   0.00002   0.00019   2.49258
   D103       0.32786   0.00000   0.00015   0.00001   0.00015   0.32801
   D104       2.49705   0.00000   0.00014   0.00002   0.00016   2.49721
   D105      -1.70185   0.00000   0.00015   0.00001   0.00016  -1.70168
   D106       2.49711   0.00000   0.00026   0.00000   0.00026   2.49737
   D107      -1.61689   0.00000   0.00026   0.00001   0.00027  -1.61662
   D108       0.46740   0.00000   0.00027   0.00001   0.00027   0.46768
   D109      -2.63622   0.00000  -0.00007   0.00012   0.00005  -2.63617
   D110       0.48496   0.00000  -0.00011   0.00010  -0.00001   0.48495
   D111       1.57074   0.00000  -0.00015   0.00014  -0.00002   1.57072
   D112      -1.59126   0.00000  -0.00020   0.00012  -0.00008  -1.59134
   D113      -0.50482   0.00000  -0.00020   0.00013  -0.00006  -0.50489
   D114       2.61636   0.00000  -0.00024   0.00011  -0.00012   2.61624
   D115       0.15867   0.00000  -0.00010  -0.00003  -0.00013   0.15854
   D116      -2.00730   0.00000  -0.00007  -0.00004  -0.00011  -2.00740
   D117       2.17084   0.00000  -0.00011  -0.00005  -0.00017   2.17067
   D118      -1.94485   0.00000  -0.00014  -0.00002  -0.00016  -1.94501
   D119       2.17236   0.00000  -0.00011  -0.00003  -0.00014   2.17223
   D120       0.06732   0.00000  -0.00015  -0.00004  -0.00020   0.06712
   D121       2.27752   0.00000  -0.00010   0.00000  -0.00010   2.27742
   D122       0.11155   0.00000  -0.00007  -0.00001  -0.00008   0.11147
   D123      -1.99350   0.00000  -0.00012  -0.00002  -0.00014  -1.99364
   D124       1.32518   0.00000  -0.00003   0.00013   0.00010   1.32528
   D125      -0.80123   0.00000   0.00003   0.00010   0.00013  -0.80109
   D126      -2.95261   0.00000   0.00000   0.00008   0.00008  -2.95252
   D127      -2.80209   0.00000   0.00000   0.00013   0.00014  -2.80195
   D128       1.35469   0.00000   0.00007   0.00010   0.00017   1.35485
   D129      -0.79670   0.00000   0.00004   0.00008   0.00012  -0.79657
   D130      -0.79466   0.00000   0.00002   0.00012   0.00014  -0.79452
   D131      -2.92107   0.00000   0.00009   0.00009   0.00017  -2.92090
   D132       1.21073   0.00000   0.00006   0.00007   0.00013   1.21086
   D133       0.95176   0.00000  -0.00003  -0.00006  -0.00010   0.95166
   D134       3.03311   0.00000  -0.00003  -0.00007  -0.00010   3.03301
   D135      -1.14950   0.00000   0.00004  -0.00006  -0.00002  -1.14952
   D136       3.05398   0.00000  -0.00006  -0.00006  -0.00012   3.05386
   D137      -1.14785   0.00000  -0.00006  -0.00006  -0.00012  -1.14797
   D138       0.95272   0.00000   0.00001  -0.00005  -0.00004   0.95267
   D139      -1.12084   0.00000  -0.00003  -0.00004  -0.00007  -1.12091
   D140       0.96051   0.00000  -0.00003  -0.00004  -0.00007   0.96044
   D141       3.06108   0.00000   0.00005  -0.00004   0.00001   3.06109
   D142       0.96751   0.00000  -0.00007   0.00006  -0.00001   0.96751
   D143      -2.19346   0.00000  -0.00012   0.00003  -0.00009  -2.19355
   D144      -1.15613   0.00000  -0.00015   0.00012  -0.00004  -1.15616
   D145       1.96609   0.00000  -0.00021   0.00009  -0.00012   1.96596
   D146       3.07749   0.00000  -0.00007   0.00011   0.00004   3.07753
   D147      -0.08349   0.00000  -0.00012   0.00008  -0.00004  -0.08352
   D148      -0.87969   0.00000  -0.00027  -0.00004  -0.00031  -0.88000
   D149       1.21560   0.00000  -0.00029  -0.00004  -0.00033   1.21527
   D150      -2.97891   0.00000  -0.00022  -0.00004  -0.00026  -2.97917
   D151       1.18914   0.00000  -0.00021  -0.00009  -0.00029   1.18885
   D152      -2.99875   0.00000  -0.00022  -0.00009  -0.00031  -2.99906
   D153      -0.91008   0.00000  -0.00015  -0.00009  -0.00024  -0.91032
   D154      -2.98644   0.00000  -0.00026  -0.00009  -0.00035  -2.98678
   D155      -0.89114   0.00000  -0.00027  -0.00009  -0.00037  -0.89150
   D156       1.19753   0.00000  -0.00020  -0.00010  -0.00029   1.19724
   D157       2.17164   0.00000   0.00018  -0.00008   0.00010   2.17174
   D158      -0.98996   0.00000   0.00019  -0.00008   0.00011  -0.98986
   D159       0.07933   0.00000   0.00015  -0.00009   0.00006   0.07938
   D160      -3.08228   0.00000   0.00016  -0.00010   0.00006  -3.08222
   D161      -1.97011   0.00000   0.00022  -0.00007   0.00014  -1.96996
   D162       1.15148   0.00000   0.00022  -0.00008   0.00015   1.15162
   D163       0.90926   0.00000  -0.00006   0.00001  -0.00006   0.90921
   D164      -1.21883   0.00000  -0.00007   0.00002  -0.00005  -1.21888
   D165       3.05549   0.00000  -0.00004   0.00000  -0.00004   3.05545
   D166       3.03493   0.00000  -0.00004  -0.00002  -0.00005   3.03488
   D167       0.90684   0.00000  -0.00004   0.00000  -0.00005   0.90679
   D168      -1.10203   0.00000  -0.00001  -0.00002  -0.00004  -1.10207
   D169      -1.23559   0.00000  -0.00008   0.00001  -0.00007  -1.23566
   D170       2.91950   0.00000  -0.00008   0.00002  -0.00006   2.91944
   D171       0.91063   0.00000  -0.00005   0.00000  -0.00005   0.91058
   D172      -0.96042   0.00000   0.00009  -0.00002   0.00007  -0.96036
   D173       2.20033   0.00000   0.00015   0.00001   0.00015   2.20048
   D174       1.17723   0.00000   0.00009  -0.00003   0.00007   1.17730
   D175      -1.94520   0.00000   0.00015   0.00000   0.00015  -1.94505
   D176      -3.09024   0.00000   0.00008  -0.00002   0.00005  -3.09019
   D177       0.07051   0.00000   0.00013   0.00000   0.00014   0.07065
   D178       0.02736   0.00000  -0.00003   0.00004   0.00001   0.02736
   D179      -3.12856   0.00000  -0.00001   0.00004   0.00003  -3.12853
   D180      -3.13476   0.00000  -0.00009   0.00000  -0.00008  -3.13484
   D181      -0.00749   0.00000  -0.00007   0.00001  -0.00006  -0.00755
   D182      -0.26886   0.00000  -0.00136  -0.00060  -0.00196  -0.27082
   D183      -2.31791   0.00000  -0.00125  -0.00053  -0.00178  -2.31970
   D184       1.85102   0.00000  -0.00122  -0.00056  -0.00178   1.84924
   D185       2.89285   0.00000  -0.00132  -0.00058  -0.00190   2.89095
   D186       0.84380   0.00000  -0.00121  -0.00052  -0.00172   0.84207
   D187      -1.27045   0.00000  -0.00118  -0.00054  -0.00172  -1.27217
   D188      -0.01824   0.00000  -0.00002  -0.00002  -0.00004  -0.01828
   D189       3.12718   0.00000  -0.00003  -0.00002  -0.00004   3.12713
   D190      -3.13874   0.00000  -0.00003  -0.00001  -0.00004  -3.13878
   D191       0.00668   0.00000  -0.00003  -0.00001  -0.00004   0.00663
   D192      -3.10094   0.00000   0.00004  -0.00010  -0.00006  -3.10100
   D193       0.03976   0.00000   0.00017  -0.00015   0.00002   0.03978
   D194       0.05390   0.00000   0.00003  -0.00011  -0.00008   0.05382
   D195      -3.08859   0.00000   0.00015  -0.00016  -0.00001  -3.08860
   D196       3.09604   0.00000  -0.00002   0.00009   0.00007   3.09612
   D197      -0.04467   0.00000  -0.00014   0.00014   0.00000  -0.04467
   D198      -0.04908   0.00000  -0.00001   0.00009   0.00007  -0.04901
   D199       3.09339   0.00000  -0.00013   0.00014   0.00000   3.09339
         Item               Value     Threshold  Converged?
 Maximum Force            0.000070     0.000450     YES
 RMS     Force            0.000006     0.000300     YES
 Maximum Displacement     0.003759     0.001800     NO 
 RMS     Displacement     0.000429     0.001200     YES
 Predicted change in Energy=-4.023576D-08
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C22H29FO5
 Framework group  C1[X(C22H29FO5)]
 Deg. of freedom   165
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          9           0        1.536998    0.051501   -1.391374
      2          8           0       -3.018815    0.239982   -1.810711
      3          8           0        0.337440   -2.204170    1.136411
      4          8           0       -4.875748   -0.147806    1.047232
      5          8           0       -5.562241   -2.439508   -0.209021
      6          8           0        6.486564   -0.157620   -1.397600
      7          6           0       -1.652742   -0.132959    0.207306
      8          6           0       -0.752775    1.122077   -0.014213
      9          6           0        0.627680    0.926690    0.625160
     10          6           0        1.330890   -0.276479   -0.067153
     11          6           0       -3.009916    0.396903   -0.384029
     12          6           0       -1.627590    2.298196    0.449817
     13          6           0       -1.027799   -1.311698   -0.550833
     14          6           0       -3.078444    1.893483    0.071224
     15          6           0        0.435125   -1.561934   -0.145102
     16          6           0        2.775945   -0.508165    0.511493
     17          6           0        1.470010    2.208031    0.524692
     18          6           0       -1.859557   -0.496432    1.678947
     19          6           0        2.895985    2.000307    1.045910
     20          6           0        3.544789    0.810687    0.396510
     21          6           0       -4.240027   -0.413953    0.052822
     22          6           0       -3.693753    2.801654   -0.984218
     23          6           0        2.766083   -0.899702    2.000606
     24          6           0        3.452416   -1.637748   -0.244351
     25          6           0        4.731164    0.905792   -0.220580
     26          6           0       -4.639642   -1.564727   -0.852515
     27          6           0        4.630931   -1.522526   -0.858467
     28          6           0        5.393924   -0.241531   -0.876628
     29          1           0       -0.602660    1.253484   -1.118340
     30          1           0        0.501563    0.657800    1.705676
     31          1           0       -1.543032    2.463699    1.537213
     32          1           0       -1.325428    3.243782   -0.027334
     33          1           0       -1.096404   -1.147032   -1.645581
     34          1           0       -1.601765   -2.241448   -0.347544
     35          1           0       -3.717525    1.933960    0.991887
     36          1           0        0.895529   -2.289776   -0.857503
     37          1           0        0.981207    3.019694    1.098314
     38          1           0        1.507324    2.565861   -0.524554
     39          1           0       -2.309159    0.314945    2.259481
     40          1           0       -2.504187   -1.377451    1.794529
     41          1           0       -0.905379   -0.769424    2.157539
     42          1           0        2.891620    1.865846    2.148557
     43          1           0        3.490021    2.922359    0.871404
     44          1           0       -4.682939    2.437858   -1.294147
     45          1           0       -3.829817    3.819618   -0.598119
     46          1           0       -3.078199    2.876285   -1.887807
     47          1           0        2.156982   -0.211370    2.601132
     48          1           0        2.359285   -1.908476    2.166350
     49          1           0        3.784073   -0.892493    2.413925
     50          1           0       -2.475880    0.938582   -2.238368
     51          1           0        2.912869   -2.586523   -0.241887
     52          1           0        1.191521   -2.627524    1.386545
     53          1           0        5.283507    1.844510   -0.291254
     54          1           0       -3.783028   -2.212802   -1.125961
     55          1           0       -5.095899   -1.177258   -1.788898
     56          1           0        5.109784   -2.348923   -1.386775
     57          1           0       -6.120743   -1.934130    0.435009
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.4209310      0.1031912      0.0947873
 Standard basis: VSTO-6G (5D, 7F)
 There are   141 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   141 basis functions,   846 primitive gaussians,   141 cartesian basis functions
    77 alpha electrons       77 beta electrons
       nuclear repulsion energy      1659.8648905384 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   141 RedAO= F  NBF=   141
 NBsUse=   141 1.00D-04 NBFU=   141
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=982442.
 SCF Done:  E(RPM6) = -0.418005347030     A.U. after    9 cycles
             Convg  =    0.6469D-08             -V/T =  0.9987
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        9          -0.000000258    0.000001594    0.000001470
      2        8          -0.000003454    0.000001232   -0.000003420
      3        8          -0.000031031   -0.000009327    0.000011227
      4        8           0.000001809   -0.000003571    0.000007264
      5        8           0.000022943    0.000022329    0.000012784
      6        8          -0.000000719   -0.000000745    0.000004799
      7        6          -0.000000008    0.000008895    0.000006604
      8        6           0.000007815   -0.000001840   -0.000007340
      9        6          -0.000010879   -0.000001346   -0.000003154
     10        6          -0.000006900    0.000003631   -0.000000111
     11        6           0.000004941   -0.000006331    0.000008333
     12        6           0.000010329   -0.000009547    0.000031045
     13        6           0.000004297   -0.000001518    0.000002890
     14        6          -0.000007152   -0.000005477   -0.000013299
     15        6           0.000000341   -0.000011165   -0.000006439
     16        6           0.000008021    0.000007342   -0.000000563
     17        6           0.000003433   -0.000004902    0.000004645
     18        6           0.000000964   -0.000001078   -0.000008882
     19        6           0.000000192   -0.000003511   -0.000001801
     20        6           0.000004144    0.000001873    0.000007058
     21        6          -0.000008278    0.000005430   -0.000013040
     22        6           0.000010457   -0.000003116    0.000005813
     23        6           0.000000068   -0.000001838   -0.000002859
     24        6          -0.000001484   -0.000006181    0.000001256
     25        6           0.000007297   -0.000001437   -0.000000224
     26        6           0.000002957    0.000004516    0.000010387
     27        6           0.000004225    0.000000119   -0.000002361
     28        6          -0.000008607   -0.000000924    0.000004747
     29        1          -0.000002491    0.000001526    0.000003647
     30        1           0.000000576   -0.000000771    0.000001330
     31        1           0.000000559   -0.000002457   -0.000013768
     32        1          -0.000005512    0.000010993   -0.000011867
     33        1          -0.000001383   -0.000000318   -0.000001798
     34        1          -0.000001195    0.000001715   -0.000000894
     35        1           0.000002057   -0.000000206    0.000006405
     36        1           0.000003103    0.000005044    0.000006250
     37        1          -0.000000759   -0.000000081    0.000000120
     38        1          -0.000000034    0.000000783   -0.000001716
     39        1           0.000000502   -0.000000114    0.000000480
     40        1          -0.000000409    0.000002799   -0.000000571
     41        1          -0.000002157    0.000000557    0.000001598
     42        1          -0.000001862   -0.000001169   -0.000001308
     43        1           0.000000091   -0.000000772   -0.000001519
     44        1          -0.000003400    0.000004444    0.000001961
     45        1           0.000002826   -0.000001030   -0.000000801
     46        1          -0.000007469   -0.000000584   -0.000004692
     47        1          -0.000002342    0.000000538    0.000000086
     48        1          -0.000000227    0.000002701   -0.000000994
     49        1          -0.000000601    0.000002561    0.000000518
     50        1           0.000000360   -0.000002575    0.000001931
     51        1          -0.000001283    0.000001741   -0.000000837
     52        1           0.000030804    0.000011012   -0.000011852
     53        1           0.000000329    0.000001111   -0.000004528
     54        1           0.000000387    0.000000491   -0.000000034
     55        1          -0.000002830   -0.000003355   -0.000001649
     56        1          -0.000000036    0.000000765   -0.000004792
     57        1          -0.000023068   -0.000018454   -0.000017534
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000031045 RMS     0.000007291

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.000034654 RMS     0.000003385
 Search for a local minimum.
 Step number  31 out of a maximum of  342
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   19   20   21   22   23
                                                     24   25   26   27   28
                                                     29   30   31
 DE= -8.64D-08 DEPred=-4.02D-08 R= 2.15D+00
 Trust test= 2.15D+00 RLast= 7.95D-03 DXMaxT set to 1.86D+00
     Eigenvalues ---    0.00070   0.00105   0.00178   0.00208   0.00250
     Eigenvalues ---    0.00278   0.00403   0.00438   0.00493   0.00519
     Eigenvalues ---    0.00602   0.00668   0.00696   0.00820   0.01135
     Eigenvalues ---    0.01406   0.01446   0.01540   0.01693   0.01769
     Eigenvalues ---    0.02096   0.02213   0.02346   0.02387   0.02598
     Eigenvalues ---    0.03058   0.03421   0.03750   0.03796   0.03922
     Eigenvalues ---    0.04138   0.04162   0.04287   0.04452   0.04578
     Eigenvalues ---    0.04711   0.04785   0.04879   0.04980   0.05023
     Eigenvalues ---    0.05119   0.05190   0.05239   0.05305   0.05349
     Eigenvalues ---    0.05370   0.05440   0.05531   0.05548   0.05642
     Eigenvalues ---    0.05799   0.05941   0.06146   0.06275   0.06855
     Eigenvalues ---    0.06913   0.07029   0.07138   0.07176   0.07393
     Eigenvalues ---    0.07783   0.08036   0.08135   0.08316   0.08330
     Eigenvalues ---    0.08385   0.09125   0.09267   0.09415   0.10725
     Eigenvalues ---    0.11264   0.11787   0.12039   0.12922   0.13410
     Eigenvalues ---    0.13787   0.14426   0.14979   0.15098   0.15608
     Eigenvalues ---    0.15836   0.15869   0.15959   0.15980   0.16003
     Eigenvalues ---    0.16007   0.16020   0.16049   0.16060   0.16082
     Eigenvalues ---    0.16225   0.16490   0.16873   0.17149   0.17806
     Eigenvalues ---    0.18931   0.19356   0.19830   0.20264   0.21186
     Eigenvalues ---    0.21410   0.22347   0.22944   0.23691   0.24141
     Eigenvalues ---    0.24917   0.25277   0.25351   0.25831   0.26556
     Eigenvalues ---    0.26696   0.27725   0.27859   0.27983   0.28439
     Eigenvalues ---    0.29226   0.29364   0.29854   0.30491   0.31215
     Eigenvalues ---    0.31352   0.32263   0.32360   0.32788   0.33542
     Eigenvalues ---    0.33599   0.33814   0.33903   0.33930   0.34036
     Eigenvalues ---    0.34066   0.34094   0.34115   0.34122   0.34181
     Eigenvalues ---    0.34199   0.34235   0.34261   0.34317   0.34341
     Eigenvalues ---    0.34371   0.34375   0.34420   0.34561   0.34612
     Eigenvalues ---    0.34769   0.35067   0.35154   0.35400   0.35550
     Eigenvalues ---    0.36112   0.37886   0.39903   0.40876   0.43217
     Eigenvalues ---    0.45451   0.47630   0.48696   0.51460   0.53567
     Eigenvalues ---    0.53895   0.57676   0.58492   0.89465   0.92401
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    31   30   29   28   27
 RFO step:  Lambda= 0.00000000D+00.
 DIIS coeffs:      1.75271     -0.61951     -0.58095      0.53382     -0.08607
 Iteration  1 RMS(Cart)=  0.00034822 RMS(Int)=  0.00000025
 Iteration  2 RMS(Cart)=  0.00000026 RMS(Int)=  0.00000001
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.60728   0.00000   0.00002  -0.00001   0.00001   2.60730
    R2        2.71235   0.00000   0.00002  -0.00002   0.00001   2.71236
    R3        1.85704   0.00000   0.00000   0.00000   0.00000   1.85705
    R4        2.71509   0.00000   0.00001   0.00001   0.00001   2.71510
    R5        1.86236   0.00003   0.00010   0.00003   0.00014   1.86250
    R6        2.28636  -0.00001  -0.00002   0.00000  -0.00002   2.28633
    R7        2.69279   0.00000  -0.00005   0.00001  -0.00004   2.69275
    R8        1.87274   0.00003   0.00015   0.00001   0.00016   1.87290
    R9        2.29297   0.00000   0.00001   0.00000   0.00001   2.29298
   R10        2.94829   0.00000   0.00001   0.00002   0.00003   2.94832
   R11        2.97135   0.00001  -0.00002  -0.00001  -0.00002   2.97133
   R12        2.89982   0.00000   0.00002  -0.00002   0.00000   2.89982
   R13        2.89110   0.00001   0.00000   0.00002   0.00003   2.89113
   R14        2.89851   0.00000  -0.00001   0.00000  -0.00001   2.89851
   R15        2.90544   0.00000   0.00000  -0.00001   0.00000   2.90544
   R16        2.12028   0.00000   0.00001   0.00000   0.00001   2.12029
   R17        2.94058   0.00000   0.00002   0.00001   0.00002   2.94061
   R18        2.90394   0.00001   0.00002   0.00002   0.00004   2.90398
   R19        2.11761   0.00000  -0.00005   0.00001  -0.00003   2.11758
   R20        2.96444   0.00000   0.00001  -0.00001  -0.00001   2.96443
   R21        2.97396   0.00001   0.00000  -0.00001  -0.00001   2.97395
   R22        2.95892   0.00001   0.00003   0.00000   0.00003   2.95895
   R23        2.90397   0.00001   0.00001   0.00002   0.00003   2.90400
   R24        2.93492   0.00000   0.00000   0.00000  -0.00001   2.93492
   R25        2.08468   0.00001   0.00002   0.00002   0.00004   2.08471
   R26        2.08137  -0.00002  -0.00004  -0.00001  -0.00005   2.08132
   R27        2.90759   0.00000  -0.00003   0.00001  -0.00001   2.90758
   R28        2.09606   0.00000  -0.00001   0.00000  -0.00001   2.09605
   R29        2.10023   0.00000   0.00000   0.00001   0.00001   2.10024
   R30        2.87669   0.00000   0.00000  -0.00001  -0.00001   2.87668
   R31        2.11926  -0.00001  -0.00004   0.00001  -0.00003   2.11923
   R32        2.11214   0.00001   0.00003   0.00001   0.00003   2.11217
   R33        2.89302   0.00001   0.00000   0.00002   0.00002   2.89304
   R34        2.90972   0.00000   0.00001   0.00002   0.00002   2.90974
   R35        2.86894  -0.00001   0.00002  -0.00003  -0.00001   2.86893
   R36        2.89580   0.00000   0.00000   0.00002   0.00001   2.89581
   R37        2.09305   0.00000   0.00000   0.00000   0.00000   2.09305
   R38        2.09611   0.00000   0.00000   0.00000   0.00000   2.09611
   R39        2.06793   0.00000  -0.00001   0.00000  -0.00001   2.06792
   R40        2.07449   0.00000  -0.00001   0.00001   0.00000   2.07449
   R41        2.08216   0.00000   0.00000   0.00000   0.00000   2.08216
   R42        2.83954   0.00001  -0.00001   0.00003   0.00002   2.83956
   R43        2.09915   0.00000   0.00001   0.00000   0.00001   2.09916
   R44        2.09880   0.00000   0.00000   0.00000   0.00000   2.09880
   R45        2.53345   0.00000   0.00000   0.00000   0.00000   2.53346
   R46        2.86816   0.00001   0.00006   0.00001   0.00007   2.86823
   R47        2.07603   0.00001   0.00002   0.00000   0.00002   2.07605
   R48        2.07340   0.00000   0.00000   0.00000   0.00000   2.07340
   R49        2.07091  -0.00001  -0.00004   0.00000  -0.00004   2.07087
   R50        2.07477   0.00000   0.00000   0.00000   0.00000   2.07477
   R51        2.07920   0.00000   0.00000   0.00001   0.00001   2.07921
   R52        2.07628   0.00000   0.00000   0.00000   0.00000   2.07628
   R53        2.52072   0.00000   0.00000   0.00000   0.00000   2.52072
   R54        2.06257   0.00000   0.00000   0.00000   0.00000   2.06257
   R55        2.79398   0.00000  -0.00001  -0.00001  -0.00001   2.79397
   R56        2.06255   0.00000   0.00001   0.00000   0.00000   2.06255
   R57        2.09458   0.00000   0.00001   0.00000   0.00001   2.09459
   R58        2.10016   0.00000  -0.00001  -0.00001  -0.00002   2.10015
   R59        2.81781   0.00000   0.00000   0.00000   0.00000   2.81780
   R60        2.06261   0.00000   0.00000   0.00000   0.00000   2.06261
    A1        1.92988   0.00000  -0.00005   0.00000  -0.00004   1.92984
    A2        1.93851   0.00000  -0.00001   0.00001   0.00000   1.93851
    A3        1.92335   0.00000  -0.00006  -0.00001  -0.00008   1.92327
    A4        1.74510   0.00000   0.00000  -0.00001  -0.00001   1.74509
    A5        1.88899   0.00000   0.00001  -0.00001   0.00001   1.88899
    A6        1.98851   0.00000  -0.00003   0.00004   0.00001   1.98851
    A7        2.00928   0.00000   0.00003  -0.00001   0.00002   2.00930
    A8        1.90195   0.00000   0.00001  -0.00001   0.00000   1.90195
    A9        1.92602   0.00000  -0.00002   0.00000  -0.00002   1.92600
   A10        1.93639   0.00000   0.00000   0.00002   0.00002   1.93640
   A11        1.81758   0.00000   0.00000   0.00001   0.00001   1.81758
   A12        1.88716   0.00000  -0.00005   0.00000  -0.00005   1.88711
   A13        2.07571   0.00000  -0.00002   0.00001  -0.00001   2.07569
   A14        1.88043   0.00000   0.00007  -0.00003   0.00004   1.88048
   A15        1.85828   0.00000   0.00000  -0.00001  -0.00001   1.85827
   A16        1.89627   0.00000  -0.00001   0.00000  -0.00002   1.89625
   A17        1.93892   0.00000  -0.00001   0.00001   0.00000   1.93892
   A18        1.90839   0.00000   0.00002   0.00000   0.00002   1.90841
   A19        1.94756   0.00000  -0.00001   0.00000  -0.00001   1.94755
   A20        1.86954   0.00000   0.00003  -0.00001   0.00002   1.86956
   A21        1.90161   0.00000  -0.00001   0.00000  -0.00001   1.90160
   A22        1.88674   0.00000   0.00000   0.00000   0.00000   1.88674
   A23        1.80534   0.00000  -0.00003  -0.00001  -0.00004   1.80530
   A24        1.82423   0.00000   0.00000  -0.00002  -0.00002   1.82420
   A25        1.97974   0.00000   0.00002   0.00002   0.00004   1.97978
   A26        1.94464   0.00000  -0.00002   0.00001  -0.00001   1.94463
   A27        2.00640   0.00000   0.00003   0.00000   0.00002   2.00642
   A28        1.92019   0.00000   0.00001  -0.00001   0.00000   1.92019
   A29        1.97493   0.00000  -0.00004   0.00002  -0.00002   1.97491
   A30        1.79252   0.00000  -0.00002  -0.00001  -0.00003   1.79249
   A31        1.82401   0.00000   0.00000   0.00001   0.00001   1.82402
   A32        1.98909   0.00000   0.00006  -0.00003   0.00003   1.98912
   A33        1.96779   0.00000   0.00000   0.00002   0.00002   1.96780
   A34        1.83239   0.00000   0.00002  -0.00001   0.00001   1.83241
   A35        1.94835   0.00000  -0.00001   0.00000  -0.00001   1.94834
   A36        1.94969   0.00000   0.00003   0.00001   0.00005   1.94973
   A37        1.92941   0.00000   0.00000  -0.00001  -0.00001   1.92941
   A38        1.95454   0.00000   0.00002   0.00000   0.00002   1.95456
   A39        1.85167   0.00000  -0.00007   0.00001  -0.00006   1.85162
   A40        1.96261   0.00000   0.00003   0.00000   0.00002   1.96263
   A41        1.92666   0.00000   0.00001  -0.00001  -0.00001   1.92665
   A42        1.91975   0.00000  -0.00004   0.00000  -0.00004   1.91971
   A43        1.92113   0.00000   0.00000   0.00001   0.00002   1.92115
   A44        1.88256   0.00000   0.00000   0.00000   0.00000   1.88256
   A45        1.84708   0.00000   0.00000   0.00001   0.00000   1.84708
   A46        1.85361   0.00000  -0.00002   0.00001  -0.00001   1.85359
   A47        1.96744   0.00000  -0.00001   0.00000  -0.00001   1.96742
   A48        1.87353   0.00000  -0.00002   0.00002   0.00000   1.87352
   A49        1.97267   0.00000   0.00002  -0.00002   0.00000   1.97267
   A50        1.89951   0.00000   0.00002   0.00001   0.00003   1.89954
   A51        1.89369   0.00000   0.00001  -0.00001   0.00001   1.89370
   A52        1.93991   0.00000  -0.00002   0.00003   0.00001   1.93992
   A53        1.81652   0.00000   0.00002  -0.00001   0.00001   1.81653
   A54        1.88119   0.00000  -0.00004   0.00002  -0.00002   1.88117
   A55        2.00728   0.00000   0.00003  -0.00001   0.00003   2.00731
   A56        1.90717   0.00000   0.00000  -0.00002  -0.00002   1.90716
   A57        1.90656   0.00000  -0.00001  -0.00001  -0.00002   1.90654
   A58        1.88252   0.00000  -0.00001  -0.00001  -0.00002   1.88250
   A59        1.96833   0.00000   0.00002   0.00000   0.00001   1.96835
   A60        1.91306   0.00000   0.00005  -0.00003   0.00002   1.91308
   A61        1.87016   0.00000  -0.00002   0.00004   0.00003   1.87019
   A62        1.96038   0.00000   0.00000   0.00000   0.00000   1.96038
   A63        1.87040   0.00000  -0.00004   0.00000  -0.00004   1.87036
   A64        1.95499   0.00000   0.00002  -0.00001   0.00001   1.95500
   A65        1.91269   0.00000  -0.00001   0.00000  -0.00001   1.91268
   A66        1.92759   0.00000   0.00001  -0.00001   0.00000   1.92759
   A67        1.91119   0.00000   0.00000   0.00001   0.00001   1.91119
   A68        1.91152   0.00000  -0.00001   0.00000  -0.00001   1.91152
   A69        1.84247   0.00000  -0.00001   0.00000  -0.00001   1.84246
   A70        1.97109   0.00000  -0.00002   0.00001  -0.00002   1.97107
   A71        1.95124   0.00000   0.00000   0.00000   0.00000   1.95124
   A72        1.93865   0.00000   0.00002  -0.00001   0.00002   1.93867
   A73        1.87333   0.00000   0.00005  -0.00001   0.00004   1.87337
   A74        1.88502   0.00000  -0.00004   0.00001  -0.00002   1.88499
   A75        1.83791   0.00000  -0.00001  -0.00001  -0.00002   1.83789
   A76        1.94133   0.00000   0.00000  -0.00002  -0.00002   1.94132
   A77        1.92878   0.00000  -0.00001   0.00000  -0.00001   1.92877
   A78        1.90894   0.00000  -0.00001   0.00000   0.00000   1.90894
   A79        1.91226   0.00000   0.00001   0.00001   0.00002   1.91228
   A80        1.93737   0.00000   0.00000   0.00001   0.00001   1.93738
   A81        1.83233   0.00000   0.00000  -0.00001  -0.00001   1.83232
   A82        2.01831   0.00000  -0.00003   0.00000  -0.00002   2.01828
   A83        2.14136   0.00000   0.00001   0.00000   0.00001   2.14137
   A84        2.12335   0.00000   0.00002   0.00000   0.00002   2.12337
   A85        2.13907   0.00000  -0.00002   0.00000  -0.00002   2.13905
   A86        2.11613   0.00000  -0.00001   0.00002   0.00001   2.11614
   A87        2.02780   0.00000   0.00004  -0.00003   0.00001   2.02781
   A88        1.94120   0.00000  -0.00003   0.00000  -0.00003   1.94117
   A89        1.93869   0.00000  -0.00001  -0.00001  -0.00002   1.93867
   A90        1.96629   0.00000   0.00007  -0.00001   0.00006   1.96635
   A91        1.87009   0.00000   0.00002   0.00001   0.00003   1.87012
   A92        1.87099   0.00000  -0.00007   0.00002  -0.00005   1.87093
   A93        1.87195   0.00000   0.00001  -0.00001   0.00001   1.87196
   A94        1.95315   0.00000   0.00002   0.00000   0.00002   1.95317
   A95        1.96188   0.00000   0.00001  -0.00001   0.00001   1.96189
   A96        1.93500   0.00000  -0.00001   0.00001   0.00000   1.93500
   A97        1.86220   0.00000  -0.00003   0.00000  -0.00003   1.86217
   A98        1.87983   0.00000  -0.00002   0.00002   0.00000   1.87983
   A99        1.86702   0.00000   0.00003  -0.00002   0.00001   1.86703
   A100       2.16351   0.00000   0.00000   0.00000   0.00000   2.16351
   A101       2.01018   0.00000  -0.00001  -0.00001  -0.00001   2.01017
   A102       2.10932   0.00000   0.00001   0.00000   0.00001   2.10933
   A103       2.14823   0.00000   0.00000   0.00000  -0.00001   2.14822
   A104       2.13963   0.00000  -0.00003   0.00001  -0.00002   2.13961
   A105       1.99525   0.00000   0.00003  -0.00001   0.00002   1.99528
   A106       1.94610   0.00000  -0.00009  -0.00002  -0.00011   1.94599
   A107       1.82641   0.00000  -0.00003  -0.00005  -0.00007   1.82634
   A108       1.90574   0.00000   0.00012   0.00007   0.00020   1.90593
   A109       1.96816   0.00000   0.00001   0.00002   0.00003   1.96819
   A110       1.92445   0.00000  -0.00003  -0.00003  -0.00006   1.92439
   A111       1.88943   0.00000   0.00003   0.00001   0.00004   1.88947
   A112       2.13163   0.00000   0.00000   0.00001   0.00001   2.13164
   A113       2.14724   0.00000  -0.00002   0.00000  -0.00002   2.14722
   A114       2.00430   0.00000   0.00001   0.00000   0.00001   2.00431
   A115       2.14183   0.00000   0.00000   0.00000   0.00000   2.14183
   A116       2.12399   0.00000  -0.00001   0.00000  -0.00001   2.12398
   A117       2.01736   0.00000   0.00001   0.00000   0.00002   2.01738
    D1       -1.34848   0.00000   0.00038  -0.00032   0.00005  -1.34843
    D2        0.68439   0.00000   0.00035  -0.00030   0.00005   0.68444
    D3        2.81083   0.00000   0.00031  -0.00027   0.00004   2.81087
    D4       -1.23697   0.00000   0.00029   0.00008   0.00036  -1.23661
    D5        2.87579   0.00000   0.00024   0.00007   0.00031   2.87610
    D6        0.85253   0.00000   0.00026   0.00008   0.00034   0.85286
    D7        0.53201   0.00000   0.00165   0.00069   0.00233   0.53434
    D8        2.66480   0.00000   0.00159   0.00067   0.00225   2.66705
    D9       -1.59888   0.00000   0.00166   0.00069   0.00235  -1.59653
   D10        3.03484   0.00000  -0.00004   0.00002  -0.00002   3.03483
   D11        0.78175   0.00000  -0.00001   0.00000  -0.00001   0.78174
   D12       -1.18982   0.00000   0.00001   0.00001   0.00002  -1.18980
   D13       -1.14017   0.00000   0.00000   0.00001   0.00000  -1.14017
   D14        2.88992   0.00000   0.00002  -0.00002   0.00001   2.88993
   D15        0.91835   0.00000   0.00005  -0.00001   0.00004   0.91839
   D16        1.00918   0.00000  -0.00004   0.00003  -0.00001   1.00916
   D17       -1.24391   0.00000  -0.00002   0.00001  -0.00001  -1.24393
   D18        3.06770   0.00000   0.00001   0.00001   0.00002   3.06772
   D19        1.45276   0.00000  -0.00009   0.00006  -0.00003   1.45272
   D20       -0.67261   0.00000  -0.00004   0.00003  -0.00001  -0.67262
   D21       -2.82828   0.00000  -0.00007   0.00002  -0.00006  -2.82834
   D22       -0.56633   0.00000  -0.00012   0.00008  -0.00005  -0.56637
   D23       -2.69169   0.00000  -0.00007   0.00005  -0.00002  -2.69172
   D24        1.43582   0.00000  -0.00010   0.00003  -0.00007   1.43575
   D25       -2.74051   0.00000  -0.00012   0.00009  -0.00003  -2.74054
   D26        1.41731   0.00000  -0.00007   0.00007  -0.00001   1.41730
   D27       -0.73836   0.00000  -0.00010   0.00005  -0.00005  -0.73841
   D28        0.96527   0.00000  -0.00008   0.00002  -0.00006   0.96521
   D29       -1.18759   0.00000  -0.00011   0.00002  -0.00010  -1.18769
   D30        3.06372   0.00000  -0.00009   0.00002  -0.00007   3.06365
   D31        2.90018   0.00000  -0.00006   0.00000  -0.00006   2.90012
   D32        0.74731   0.00000  -0.00009   0.00000  -0.00009   0.74722
   D33       -1.28456   0.00000  -0.00007   0.00000  -0.00007  -1.28463
   D34       -1.22148   0.00000  -0.00004  -0.00002  -0.00006  -1.22154
   D35        2.90885   0.00000  -0.00007  -0.00003  -0.00009   2.90875
   D36        0.87697   0.00000  -0.00005  -0.00003  -0.00007   0.87690
   D37        1.01769   0.00000  -0.00071   0.00011  -0.00060   1.01708
   D38        3.13258   0.00000  -0.00066   0.00010  -0.00056   3.13202
   D39       -1.10317   0.00000  -0.00066   0.00009  -0.00057  -1.10375
   D40       -0.91413   0.00000  -0.00070   0.00010  -0.00060  -0.91473
   D41        1.20077   0.00000  -0.00065   0.00009  -0.00056   1.20021
   D42       -3.03499   0.00000  -0.00065   0.00008  -0.00057  -3.03556
   D43       -3.13644   0.00000  -0.00073   0.00013  -0.00061  -3.13705
   D44       -1.02155   0.00000  -0.00068   0.00012  -0.00056  -1.02211
   D45        1.02588   0.00000  -0.00068   0.00011  -0.00057   1.02531
   D46        1.08592   0.00000   0.00003  -0.00004  -0.00001   1.08590
   D47       -3.04847   0.00000   0.00000  -0.00004  -0.00004  -3.04851
   D48       -0.94905   0.00000  -0.00001  -0.00003  -0.00004  -0.94908
   D49       -3.09078   0.00000   0.00001  -0.00001   0.00000  -3.09078
   D50       -0.94199   0.00000  -0.00002  -0.00001  -0.00003  -0.94201
   D51        1.15744   0.00000  -0.00003   0.00000  -0.00003   1.15742
   D52       -0.97669   0.00000   0.00005  -0.00004   0.00001  -0.97668
   D53        1.17210   0.00000   0.00002  -0.00004  -0.00001   1.17209
   D54       -3.01165   0.00000   0.00002  -0.00003  -0.00001  -3.01167
   D55       -0.59249   0.00000   0.00006  -0.00003   0.00003  -0.59245
   D56        1.49850   0.00000   0.00008  -0.00005   0.00003   1.49853
   D57       -2.71454   0.00000   0.00001  -0.00003  -0.00002  -2.71457
   D58       -2.75823   0.00000   0.00008  -0.00006   0.00002  -2.75822
   D59       -0.66724   0.00000   0.00009  -0.00008   0.00001  -0.66723
   D60        1.40290   0.00000   0.00002  -0.00006  -0.00004   1.40286
   D61        1.39971   0.00000   0.00000  -0.00003  -0.00003   1.39969
   D62       -2.79248   0.00000   0.00001  -0.00005  -0.00003  -2.79251
   D63       -0.72234   0.00000  -0.00006  -0.00003  -0.00008  -0.72242
   D64        1.11643   0.00000   0.00000   0.00003   0.00002   1.11645
   D65       -0.87479   0.00000   0.00002   0.00003   0.00005  -0.87474
   D66        3.11142   0.00000  -0.00002   0.00001  -0.00001   3.11142
   D67       -1.02716   0.00000   0.00002   0.00002   0.00004  -1.02712
   D68       -3.01838   0.00000   0.00005   0.00002   0.00007  -3.01831
   D69        0.96784   0.00000   0.00001   0.00000   0.00001   0.96784
   D70       -3.10701   0.00000   0.00003   0.00002   0.00005  -3.10696
   D71        1.18495   0.00000   0.00005   0.00002   0.00008   1.18503
   D72       -1.11202   0.00000   0.00001   0.00000   0.00002  -1.11200
   D73       -3.05404   0.00000   0.00007  -0.00002   0.00005  -3.05398
   D74        1.10434   0.00000   0.00006  -0.00002   0.00004   1.10438
   D75       -0.91829   0.00000   0.00007  -0.00002   0.00005  -0.91824
   D76       -0.93501   0.00000   0.00004  -0.00001   0.00003  -0.93498
   D77       -3.05982   0.00000   0.00004  -0.00002   0.00002  -3.05980
   D78        1.20073   0.00000   0.00005  -0.00002   0.00003   1.20076
   D79        1.12571   0.00000   0.00006  -0.00002   0.00004   1.12574
   D80       -0.99910   0.00000   0.00006  -0.00003   0.00003  -0.99907
   D81       -3.02174   0.00000   0.00007  -0.00003   0.00004  -3.02170
   D82        2.93943   0.00000  -0.00013   0.00000  -0.00013   2.93930
   D83       -1.28562   0.00000  -0.00009   0.00000  -0.00009  -1.28571
   D84        0.86548   0.00000  -0.00007  -0.00003  -0.00010   0.86537
   D85       -1.30425   0.00000  -0.00014   0.00000  -0.00014  -1.30439
   D86        0.75387   0.00000  -0.00010   0.00000  -0.00009   0.75378
   D87        2.90497   0.00000  -0.00008  -0.00003  -0.00011   2.90486
   D88        0.96198   0.00000  -0.00012   0.00003  -0.00009   0.96188
   D89        3.02010   0.00000  -0.00008   0.00003  -0.00005   3.02006
   D90       -1.11198   0.00000  -0.00007   0.00000  -0.00007  -1.11205
   D91        1.08674   0.00000  -0.00009   0.00000  -0.00009   1.08665
   D92       -3.13482   0.00000  -0.00011   0.00004  -0.00007  -3.13489
   D93       -1.05260   0.00000  -0.00011   0.00002  -0.00009  -1.05269
   D94       -0.94677   0.00000  -0.00008   0.00000  -0.00007  -0.94685
   D95        1.11485   0.00000  -0.00009   0.00005  -0.00005   1.11480
   D96       -3.08612   0.00000  -0.00010   0.00002  -0.00007  -3.08619
   D97        3.05312   0.00000  -0.00011  -0.00003  -0.00014   3.05298
   D98       -1.16845   0.00000  -0.00013   0.00002  -0.00011  -1.16856
   D99        0.91377   0.00000  -0.00013  -0.00001  -0.00014   0.91363
   D100      -1.76091   0.00000   0.00009  -0.00005   0.00004  -1.76087
   D101       0.40828   0.00000   0.00010  -0.00007   0.00002   0.40830
   D102       2.49258   0.00000   0.00009  -0.00007   0.00002   2.49260
   D103       0.32801   0.00000   0.00008  -0.00004   0.00004   0.32805
   D104       2.49721   0.00000   0.00008  -0.00007   0.00002   2.49722
   D105      -1.70168   0.00000   0.00008  -0.00006   0.00001  -1.70167
   D106       2.49737   0.00000   0.00015  -0.00006   0.00009   2.49746
   D107      -1.61662   0.00000   0.00015  -0.00009   0.00007  -1.61655
   D108       0.46768   0.00000   0.00015  -0.00008   0.00006   0.46774
   D109      -2.63617   0.00000   0.00036   0.00004   0.00040  -2.63577
   D110       0.48495   0.00000   0.00034   0.00004   0.00038   0.48533
   D111       1.57072   0.00000   0.00033   0.00008   0.00040   1.57113
   D112      -1.59134   0.00000   0.00031   0.00007   0.00038  -1.59096
   D113      -0.50489   0.00000   0.00029   0.00007   0.00036  -0.50453
   D114       2.61624   0.00000   0.00027   0.00006   0.00034   2.61657
   D115       0.15854   0.00000  -0.00008   0.00005  -0.00004   0.15850
   D116      -2.00740   0.00000  -0.00007   0.00006  -0.00001  -2.00742
   D117       2.17067   0.00000  -0.00011   0.00008  -0.00004   2.17064
   D118      -1.94501   0.00000  -0.00009   0.00006  -0.00003  -1.94504
   D119       2.17223   0.00000  -0.00007   0.00007   0.00000   2.17223
   D120       0.06712   0.00000  -0.00012   0.00009  -0.00002   0.06709
   D121       2.27742   0.00000  -0.00002   0.00006   0.00004   2.27746
   D122       0.11147   0.00000   0.00000   0.00007   0.00006   0.11153
   D123      -1.99364   0.00000  -0.00005   0.00008   0.00004  -1.99360
   D124       1.32528   0.00000   0.00015   0.00000   0.00014   1.32543
   D125      -0.80109   0.00000   0.00013  -0.00003   0.00010  -0.80099
   D126      -2.95252   0.00000   0.00011   0.00001   0.00012  -2.95240
   D127      -2.80195   0.00000   0.00018  -0.00002   0.00016  -2.80179
   D128       1.35485   0.00000   0.00016  -0.00004   0.00012   1.35497
   D129      -0.79657   0.00000   0.00014   0.00000   0.00014  -0.79644
   D130      -0.79452   0.00000   0.00018   0.00000   0.00017  -0.79434
   D131      -2.92090   0.00000   0.00016  -0.00003   0.00013  -2.92076
   D132       1.21086   0.00000   0.00014   0.00001   0.00015   1.21101
   D133       0.95166   0.00000   0.00006   0.00000   0.00006   0.95172
   D134       3.03301   0.00000   0.00005   0.00001   0.00007   3.03308
   D135      -1.14952   0.00000   0.00012  -0.00001   0.00011  -1.14942
   D136       3.05386   0.00000   0.00003   0.00000   0.00003   3.05389
   D137      -1.14797   0.00000   0.00003   0.00001   0.00004  -1.14794
   D138       0.95267   0.00000   0.00010  -0.00002   0.00008   0.95275
   D139      -1.12091   0.00000   0.00008  -0.00002   0.00007  -1.12084
   D140       0.96044   0.00000   0.00008  -0.00001   0.00008   0.96052
   D141       3.06109   0.00000   0.00014  -0.00003   0.00012   3.06121
   D142       0.96751   0.00000   0.00008   0.00001   0.00009   0.96760
   D143      -2.19355   0.00000   0.00007   0.00014   0.00021  -2.19334
   D144      -1.15616   0.00000   0.00008   0.00000   0.00008  -1.15609
   D145       1.96596   0.00000   0.00007   0.00012   0.00019   1.96616
   D146       3.07753   0.00000   0.00013  -0.00003   0.00011   3.07764
   D147      -0.08352   0.00000   0.00013   0.00010   0.00022  -0.08330
   D148      -0.88000   0.00000  -0.00026   0.00011  -0.00016  -0.88016
   D149       1.21527   0.00000  -0.00028   0.00010  -0.00018   1.21509
   D150      -2.97917   0.00000  -0.00024   0.00008  -0.00016  -2.97933
   D151       1.18885   0.00000  -0.00028   0.00012  -0.00016   1.18869
   D152      -2.99906   0.00000  -0.00030   0.00012  -0.00018  -2.99924
   D153      -0.91032   0.00000  -0.00026   0.00009  -0.00017  -0.91048
   D154      -2.98678   0.00000  -0.00031   0.00015  -0.00016  -2.98695
   D155      -0.89150   0.00000  -0.00033   0.00014  -0.00019  -0.89169
   D156       1.19724   0.00000  -0.00029   0.00011  -0.00017   1.19707
   D157       2.17174   0.00000  -0.00011  -0.00012  -0.00023   2.17152
   D158      -0.98986   0.00000  -0.00014  -0.00012  -0.00026  -0.99011
   D159       0.07938   0.00000  -0.00012  -0.00009  -0.00021   0.07917
   D160      -3.08222   0.00000  -0.00015  -0.00009  -0.00025  -3.08246
   D161      -1.96996   0.00000  -0.00008  -0.00014  -0.00022  -1.97019
   D162       1.15162   0.00000  -0.00011  -0.00014  -0.00025   1.15137
   D163       0.90921   0.00000  -0.00003   0.00002   0.00000   0.90920
   D164      -1.21888   0.00000  -0.00003   0.00002  -0.00002  -1.21890
   D165       3.05545   0.00000  -0.00002   0.00002   0.00000   3.05545
   D166       3.03488   0.00000  -0.00003   0.00003   0.00000   3.03488
   D167       0.90679   0.00000  -0.00004   0.00002  -0.00001   0.90678
   D168      -1.10207   0.00000  -0.00003   0.00003   0.00000  -1.10206
   D169      -1.23566   0.00000  -0.00004   0.00003  -0.00001  -1.23567
   D170       2.91944   0.00000  -0.00005   0.00003  -0.00002   2.91941
   D171       0.91058   0.00000  -0.00004   0.00004   0.00000   0.91057
   D172      -0.96036   0.00000  -0.00003  -0.00003  -0.00005  -0.96041
   D173       2.20048   0.00000  -0.00002  -0.00015  -0.00017   2.20031
   D174       1.17730   0.00000  -0.00003  -0.00003  -0.00006   1.17724
   D175      -1.94505   0.00000  -0.00002  -0.00015  -0.00017  -1.94523
   D176      -3.09019   0.00000  -0.00002  -0.00003  -0.00005  -3.09024
   D177       0.07065   0.00000  -0.00001  -0.00015  -0.00017   0.07048
   D178       0.02736   0.00000   0.00007   0.00003   0.00010   0.02747
   D179      -3.12853   0.00000   0.00005  -0.00004   0.00001  -3.12852
   D180      -3.13484   0.00000   0.00006   0.00016   0.00023  -3.13462
   D181      -0.00755   0.00000   0.00004   0.00009   0.00013  -0.00742
   D182      -0.27082   0.00000  -0.00099  -0.00052  -0.00151  -0.27233
   D183      -2.31970   0.00000  -0.00090  -0.00045  -0.00136  -2.32105
   D184       1.84924   0.00000  -0.00092  -0.00046  -0.00138   1.84786
   D185       2.89095   0.00000  -0.00097  -0.00051  -0.00149   2.88946
   D186       0.84207   0.00000  -0.00088  -0.00045  -0.00133   0.84074
   D187      -1.27217   0.00000  -0.00090  -0.00045  -0.00135  -1.27353
   D188      -0.01828   0.00000  -0.00008  -0.00004  -0.00012  -0.01840
   D189       3.12713   0.00000  -0.00007  -0.00001  -0.00008   3.12705
   D190      -3.13878   0.00000  -0.00005  -0.00004  -0.00009  -3.13887
   D191       0.00663   0.00000  -0.00004  -0.00001  -0.00005   0.00658
   D192      -3.10100   0.00000  -0.00031  -0.00016  -0.00046  -3.10146
   D193       0.03978   0.00000  -0.00027  -0.00016  -0.00044   0.03934
   D194       0.05382   0.00000  -0.00028  -0.00009  -0.00038   0.05344
   D195      -3.08860   0.00000  -0.00025  -0.00010  -0.00035  -3.08894
   D196       3.09612   0.00000   0.00031   0.00016   0.00047   3.09659
   D197      -0.04467   0.00000   0.00028   0.00017   0.00044  -0.04422
   D198      -0.04901   0.00000   0.00030   0.00014   0.00044  -0.04857
   D199       3.09339   0.00000   0.00027   0.00014   0.00041   3.09380
         Item               Value     Threshold  Converged?
 Maximum Force            0.000035     0.000450     YES
 RMS     Force            0.000003     0.000300     YES
 Maximum Displacement     0.003127     0.001800     NO 
 RMS     Displacement     0.000348     0.001200     YES
 Predicted change in Energy=-2.915911D-08
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C22H29FO5
 Framework group  C1[X(C22H29FO5)]
 Deg. of freedom   165
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          9           0        1.537070    0.051594   -1.391205
      2          8           0       -3.018710    0.240247   -1.810816
      3          8           0        0.337392   -2.204343    1.136254
      4          8           0       -4.876130   -0.147532    1.046679
      5          8           0       -5.560581   -2.440539   -0.208512
      6          8           0        6.485973   -0.157462   -1.398433
      7          6           0       -1.652796   -0.132903    0.207263
      8          6           0       -0.752777    1.122138   -0.014127
      9          6           0        0.627632    0.926709    0.625323
     10          6           0        1.330855   -0.276456   -0.067010
     11          6           0       -3.009908    0.397033   -0.384114
     12          6           0       -1.627591    2.298254    0.449905
     13          6           0       -1.027830   -1.311621   -0.550889
     14          6           0       -3.078440    1.893597    0.071246
     15          6           0        0.435081   -1.561887   -0.145156
     16          6           0        2.775873   -0.508186    0.511701
     17          6           0        1.470013    2.208045    0.524927
     18          6           0       -1.859715   -0.496475    1.678879
     19          6           0        2.895984    2.000273    1.046156
     20          6           0        3.544756    0.810657    0.396697
     21          6           0       -4.240098   -0.413846    0.052528
     22          6           0       -3.693684    2.801833   -0.984172
     23          6           0        2.765954   -0.899718    2.000827
     24          6           0        3.452351   -1.637812   -0.244062
     25          6           0        4.731047    0.905775   -0.220559
     26          6           0       -4.639376   -1.564853   -0.852726
     27          6           0        4.630786   -1.522578   -0.858329
     28          6           0        5.393609   -0.241489   -0.876895
     29          1           0       -0.602641    1.253576   -1.118253
     30          1           0        0.501466    0.657809    1.705813
     31          1           0       -1.543072    2.463706    1.537332
     32          1           0       -1.325400    3.243863   -0.027121
     33          1           0       -1.096443   -1.146939   -1.645627
     34          1           0       -1.601819   -2.241364   -0.347602
     35          1           0       -3.717561    1.934014    0.991862
     36          1           0        0.895506   -2.289629   -0.857670
     37          1           0        0.981212    3.019693    1.098572
     38          1           0        1.507353    2.565924   -0.524302
     39          1           0       -2.308780    0.315095    2.259554
     40          1           0       -2.504836   -1.377147    1.794381
     41          1           0       -0.905668   -0.770088    2.157378
     42          1           0        2.891598    1.865781    2.148804
     43          1           0        3.490038    2.922325    0.871697
     44          1           0       -4.682890    2.438068   -1.294114
     45          1           0       -3.829691    3.819786   -0.598028
     46          1           0       -3.078192    2.876466   -1.887776
     47          1           0        2.156988   -0.211287    2.601375
     48          1           0        2.358953   -1.908414    2.166589
     49          1           0        3.783951   -0.892698    2.414133
     50          1           0       -2.475684    0.938866   -2.238329
     51          1           0        2.912890   -2.586635   -0.241373
     52          1           0        1.191628   -2.627499    1.386480
     53          1           0        5.283394    1.844492   -0.291226
     54          1           0       -3.782411   -2.212160   -1.126906
     55          1           0       -5.096650   -1.177574   -1.788681
     56          1           0        5.109665   -2.349040   -1.386507
     57          1           0       -6.120436   -1.935258    0.434550
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.4208723      0.1032005      0.0947937
 Standard basis: VSTO-6G (5D, 7F)
 There are   141 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   141 basis functions,   846 primitive gaussians,   141 cartesian basis functions
    77 alpha electrons       77 beta electrons
       nuclear repulsion energy      1659.8710177043 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   141 RedAO= F  NBF=   141
 NBsUse=   141 1.00D-04 NBFU=   141
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=982442.
 SCF Done:  E(RPM6) = -0.418005394043     A.U. after    8 cycles
             Convg  =    0.9944D-08             -V/T =  0.9987
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        9          -0.000001624   -0.000000792   -0.000000640
      2        8          -0.000002335    0.000000629   -0.000005105
      3        8          -0.000010541   -0.000000823    0.000006726
      4        8          -0.000002317   -0.000003611   -0.000001191
      5        8          -0.000005340    0.000002797   -0.000008020
      6        8          -0.000002613   -0.000000731    0.000002341
      7        6           0.000006115    0.000004581   -0.000006368
      8        6           0.000000725    0.000002488   -0.000005250
      9        6          -0.000002699   -0.000002165    0.000008505
     10        6          -0.000007659   -0.000001596    0.000004374
     11        6          -0.000004291   -0.000008765    0.000009330
     12        6           0.000007264   -0.000004828    0.000011053
     13        6          -0.000000920   -0.000003357   -0.000001173
     14        6           0.000001943    0.000007229   -0.000004762
     15        6           0.000009152   -0.000002616   -0.000010601
     16        6           0.000011589    0.000002741   -0.000008991
     17        6           0.000001647    0.000001335    0.000004214
     18        6           0.000003292   -0.000004746   -0.000002855
     19        6           0.000000411    0.000000000   -0.000004901
     20        6          -0.000003687    0.000002015    0.000005906
     21        6          -0.000002388    0.000007633   -0.000002822
     22        6          -0.000003919   -0.000002438    0.000002617
     23        6          -0.000000874   -0.000005572    0.000000782
     24        6          -0.000000427   -0.000006022    0.000001059
     25        6          -0.000002158   -0.000004558   -0.000002866
     26        6           0.000012501   -0.000006035    0.000007911
     27        6           0.000000389    0.000001293   -0.000001863
     28        6          -0.000000233    0.000001173    0.000005087
     29        1           0.000002323    0.000000376    0.000000581
     30        1          -0.000000273    0.000000738   -0.000003220
     31        1          -0.000000681    0.000000903   -0.000007554
     32        1          -0.000001502    0.000003534   -0.000002142
     33        1           0.000000505   -0.000000136    0.000000995
     34        1          -0.000000058    0.000003663   -0.000000568
     35        1          -0.000001149   -0.000000670    0.000000466
     36        1           0.000000588    0.000001187    0.000002010
     37        1          -0.000000030    0.000000809   -0.000000224
     38        1          -0.000000510    0.000002043   -0.000002407
     39        1          -0.000002064    0.000001337    0.000000915
     40        1          -0.000001170    0.000001693   -0.000000575
     41        1          -0.000000935   -0.000000044    0.000003176
     42        1          -0.000001413    0.000000018    0.000002491
     43        1          -0.000000218    0.000001645   -0.000000930
     44        1          -0.000001692    0.000000596   -0.000000462
     45        1           0.000001193   -0.000001557    0.000000198
     46        1           0.000002215   -0.000000100    0.000000338
     47        1          -0.000001752   -0.000000905    0.000002252
     48        1           0.000000954    0.000002650    0.000000444
     49        1          -0.000001602    0.000002223    0.000001673
     50        1           0.000000407   -0.000001634    0.000006044
     51        1          -0.000000050    0.000002545   -0.000000604
     52        1           0.000005205   -0.000000447    0.000000006
     53        1           0.000001275    0.000002503   -0.000003402
     54        1          -0.000002657   -0.000000111   -0.000000085
     55        1          -0.000000391   -0.000001498   -0.000002964
     56        1           0.000001221    0.000000760   -0.000002184
     57        1           0.000001257    0.000002621    0.000003236
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000012501 RMS     0.000003819

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.000008293 RMS     0.000001777
 Search for a local minimum.
 Step number  32 out of a maximum of  342
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   19   20   21   22   23
                                                     24   25   26   27   28
                                                     29   30   31   32
 DE= -4.70D-08 DEPred=-2.92D-08 R= 1.61D+00
 Trust test= 1.61D+00 RLast= 5.93D-03 DXMaxT set to 1.86D+00
     Eigenvalues ---    0.00067   0.00106   0.00175   0.00212   0.00245
     Eigenvalues ---    0.00282   0.00341   0.00407   0.00481   0.00513
     Eigenvalues ---    0.00559   0.00616   0.00696   0.00814   0.01091
     Eigenvalues ---    0.01408   0.01447   0.01542   0.01693   0.01769
     Eigenvalues ---    0.02098   0.02214   0.02344   0.02384   0.02607
     Eigenvalues ---    0.03056   0.03419   0.03750   0.03808   0.03917
     Eigenvalues ---    0.04108   0.04147   0.04287   0.04421   0.04579
     Eigenvalues ---    0.04715   0.04752   0.04879   0.05012   0.05024
     Eigenvalues ---    0.05116   0.05209   0.05245   0.05300   0.05367
     Eigenvalues ---    0.05371   0.05441   0.05541   0.05563   0.05647
     Eigenvalues ---    0.05803   0.05960   0.06146   0.06278   0.06835
     Eigenvalues ---    0.06910   0.07032   0.07128   0.07198   0.07395
     Eigenvalues ---    0.07805   0.08039   0.08207   0.08323   0.08351
     Eigenvalues ---    0.08394   0.09125   0.09268   0.09393   0.10730
     Eigenvalues ---    0.11265   0.11782   0.12025   0.12949   0.13297
     Eigenvalues ---    0.13779   0.14414   0.14973   0.15119   0.15665
     Eigenvalues ---    0.15787   0.15928   0.15951   0.15984   0.16006
     Eigenvalues ---    0.16010   0.16027   0.16045   0.16069   0.16105
     Eigenvalues ---    0.16277   0.16503   0.16856   0.17101   0.17816
     Eigenvalues ---    0.19005   0.19364   0.19924   0.20425   0.21317
     Eigenvalues ---    0.21446   0.22343   0.22947   0.23651   0.24079
     Eigenvalues ---    0.24916   0.25296   0.25343   0.26407   0.26629
     Eigenvalues ---    0.26949   0.27683   0.27888   0.27982   0.28504
     Eigenvalues ---    0.29267   0.29534   0.29848   0.30621   0.31241
     Eigenvalues ---    0.31428   0.31848   0.32297   0.32676   0.33533
     Eigenvalues ---    0.33580   0.33839   0.33908   0.33914   0.34026
     Eigenvalues ---    0.34067   0.34094   0.34122   0.34135   0.34193
     Eigenvalues ---    0.34203   0.34252   0.34259   0.34319   0.34336
     Eigenvalues ---    0.34372   0.34413   0.34461   0.34547   0.34723
     Eigenvalues ---    0.34747   0.35134   0.35184   0.35433   0.35560
     Eigenvalues ---    0.36344   0.38417   0.39251   0.41147   0.43797
     Eigenvalues ---    0.44971   0.47403   0.48785   0.51707   0.53592
     Eigenvalues ---    0.54080   0.57301   0.58466   0.89782   0.92691
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    32   31   30   29   28
 RFO step:  Lambda= 0.00000000D+00.
 DIIS coeffs:      1.40350     -0.23703     -0.50089      0.38412     -0.04970
 Iteration  1 RMS(Cart)=  0.00025871 RMS(Int)=  0.00000006
 Iteration  2 RMS(Cart)=  0.00000006 RMS(Int)=  0.00000001
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.60730   0.00000   0.00001   0.00000   0.00001   2.60730
    R2        2.71236   0.00000   0.00000   0.00000   0.00000   2.71236
    R3        1.85705   0.00000   0.00001   0.00000   0.00001   1.85705
    R4        2.71510  -0.00001   0.00000  -0.00001  -0.00001   2.71509
    R5        1.86250   0.00000   0.00007   0.00000   0.00007   1.86258
    R6        2.28633   0.00000  -0.00001   0.00000  -0.00001   2.28632
    R7        2.69275   0.00001   0.00000   0.00001   0.00000   2.69275
    R8        1.87290   0.00000   0.00008  -0.00002   0.00007   1.87297
    R9        2.29298   0.00000   0.00000   0.00000   0.00000   2.29298
   R10        2.94832   0.00000   0.00001  -0.00002  -0.00001   2.94832
   R11        2.97133   0.00001  -0.00001   0.00002   0.00002   2.97134
   R12        2.89982   0.00000  -0.00001   0.00001   0.00001   2.89983
   R13        2.89113   0.00000   0.00000   0.00000   0.00000   2.89113
   R14        2.89851  -0.00001  -0.00001  -0.00001  -0.00003   2.89848
   R15        2.90544   0.00000  -0.00001   0.00000  -0.00001   2.90542
   R16        2.12029   0.00000   0.00001   0.00000   0.00001   2.12030
   R17        2.94061   0.00000   0.00000   0.00001   0.00000   2.94061
   R18        2.90398   0.00000   0.00001   0.00000   0.00001   2.90399
   R19        2.11758   0.00000  -0.00001   0.00001  -0.00001   2.11757
   R20        2.96443   0.00000  -0.00001   0.00000  -0.00002   2.96441
   R21        2.97395   0.00000   0.00000   0.00002   0.00001   2.97397
   R22        2.95895   0.00000   0.00001  -0.00001   0.00000   2.95895
   R23        2.90400   0.00000   0.00002   0.00000   0.00002   2.90403
   R24        2.93492   0.00000   0.00000   0.00000   0.00000   2.93492
   R25        2.08471   0.00001   0.00003   0.00000   0.00003   2.08475
   R26        2.08132   0.00000  -0.00004   0.00001  -0.00003   2.08128
   R27        2.90758   0.00000  -0.00002   0.00002   0.00000   2.90758
   R28        2.09605   0.00000  -0.00001   0.00001   0.00000   2.09604
   R29        2.10024   0.00000   0.00001   0.00001   0.00001   2.10025
   R30        2.87668   0.00000   0.00000   0.00001   0.00002   2.87670
   R31        2.11923   0.00000  -0.00002   0.00001  -0.00001   2.11922
   R32        2.11217   0.00000   0.00002   0.00000   0.00002   2.11219
   R33        2.89304   0.00000   0.00000  -0.00001  -0.00002   2.89302
   R34        2.90974  -0.00001   0.00000  -0.00001  -0.00001   2.90973
   R35        2.86893   0.00000  -0.00001   0.00000  -0.00001   2.86893
   R36        2.89581   0.00000   0.00001  -0.00001   0.00000   2.89581
   R37        2.09305   0.00000   0.00000   0.00000   0.00000   2.09305
   R38        2.09611   0.00000   0.00000   0.00000  -0.00001   2.09610
   R39        2.06792   0.00000  -0.00001   0.00000  -0.00001   2.06792
   R40        2.07449   0.00000   0.00000   0.00000   0.00000   2.07449
   R41        2.08216   0.00000   0.00000   0.00000  -0.00001   2.08215
   R42        2.83956   0.00000   0.00000  -0.00001  -0.00001   2.83955
   R43        2.09916   0.00000   0.00000  -0.00001  -0.00001   2.09916
   R44        2.09880   0.00000   0.00000  -0.00001  -0.00001   2.09879
   R45        2.53346   0.00000   0.00000   0.00000   0.00000   2.53345
   R46        2.86823   0.00000   0.00002  -0.00001   0.00001   2.86825
   R47        2.07605   0.00000   0.00002   0.00000   0.00001   2.07606
   R48        2.07340   0.00000   0.00000   0.00000   0.00000   2.07340
   R49        2.07087   0.00000  -0.00002   0.00001  -0.00001   2.07086
   R50        2.07477   0.00000   0.00000   0.00000   0.00000   2.07477
   R51        2.07921   0.00000   0.00001   0.00000   0.00001   2.07922
   R52        2.07628   0.00000   0.00000   0.00000  -0.00001   2.07628
   R53        2.52072   0.00000   0.00000   0.00000   0.00000   2.52072
   R54        2.06257   0.00000   0.00000   0.00000   0.00001   2.06257
   R55        2.79397   0.00000  -0.00001   0.00001   0.00000   2.79397
   R56        2.06255   0.00000   0.00000   0.00000   0.00000   2.06255
   R57        2.09459   0.00000   0.00001  -0.00001   0.00000   2.09459
   R58        2.10015   0.00000   0.00000  -0.00001  -0.00001   2.10013
   R59        2.81780   0.00000   0.00000   0.00000   0.00000   2.81780
   R60        2.06261   0.00000   0.00000   0.00000   0.00000   2.06261
    A1        1.92984   0.00001  -0.00001   0.00003   0.00002   1.92987
    A2        1.93851   0.00000  -0.00001  -0.00002  -0.00002   1.93849
    A3        1.92327   0.00000  -0.00002  -0.00001  -0.00003   1.92324
    A4        1.74509   0.00000   0.00000   0.00000   0.00001   1.74510
    A5        1.88899   0.00000   0.00000   0.00000   0.00000   1.88899
    A6        1.98851   0.00000   0.00001  -0.00002  -0.00001   1.98850
    A7        2.00930   0.00000   0.00001   0.00001   0.00002   2.00932
    A8        1.90195   0.00000  -0.00002   0.00001  -0.00001   1.90194
    A9        1.92600   0.00000  -0.00001   0.00000   0.00000   1.92600
   A10        1.93640   0.00000   0.00001  -0.00002  -0.00001   1.93640
   A11        1.81758   0.00000   0.00001   0.00000   0.00000   1.81759
   A12        1.88711   0.00000  -0.00003   0.00002  -0.00001   1.88709
   A13        2.07569   0.00000  -0.00001  -0.00001  -0.00002   2.07567
   A14        1.88048   0.00000   0.00002   0.00000   0.00002   1.88049
   A15        1.85827   0.00000   0.00000   0.00002   0.00002   1.85828
   A16        1.89625   0.00000  -0.00001   0.00001   0.00000   1.89625
   A17        1.93892   0.00000   0.00001   0.00000   0.00001   1.93893
   A18        1.90841   0.00000   0.00002  -0.00002   0.00000   1.90841
   A19        1.94755   0.00000  -0.00001   0.00002   0.00001   1.94756
   A20        1.86956   0.00000   0.00001  -0.00001   0.00000   1.86957
   A21        1.90160   0.00000  -0.00001  -0.00001  -0.00001   1.90158
   A22        1.88674   0.00000  -0.00001   0.00001   0.00000   1.88674
   A23        1.80530   0.00000  -0.00002   0.00001  -0.00001   1.80530
   A24        1.82420   0.00000   0.00000   0.00001   0.00001   1.82421
   A25        1.97978   0.00000   0.00003  -0.00002   0.00001   1.97979
   A26        1.94463   0.00000  -0.00002  -0.00001  -0.00002   1.94461
   A27        2.00642   0.00000   0.00001   0.00000   0.00001   2.00643
   A28        1.92019   0.00000  -0.00001   0.00001   0.00001   1.92019
   A29        1.97491   0.00000   0.00001   0.00002   0.00003   1.97494
   A30        1.79249   0.00000  -0.00001  -0.00001  -0.00002   1.79247
   A31        1.82402   0.00000   0.00001   0.00000   0.00001   1.82403
   A32        1.98912   0.00000  -0.00002  -0.00002  -0.00004   1.98908
   A33        1.96780   0.00000   0.00002   0.00000   0.00001   1.96782
   A34        1.83241   0.00000   0.00001   0.00000   0.00001   1.83241
   A35        1.94834   0.00000  -0.00001  -0.00001  -0.00002   1.94831
   A36        1.94973   0.00000   0.00003   0.00000   0.00003   1.94976
   A37        1.92941   0.00000  -0.00001  -0.00001  -0.00002   1.92939
   A38        1.95456   0.00000   0.00001   0.00000   0.00002   1.95458
   A39        1.85162   0.00000  -0.00003   0.00002  -0.00001   1.85161
   A40        1.96263   0.00000   0.00001   0.00000   0.00001   1.96264
   A41        1.92665   0.00000  -0.00001   0.00000   0.00000   1.92665
   A42        1.91971   0.00000  -0.00001   0.00001   0.00000   1.91971
   A43        1.92115   0.00000   0.00001   0.00000   0.00001   1.92116
   A44        1.88256   0.00000  -0.00001  -0.00001  -0.00001   1.88255
   A45        1.84708   0.00000   0.00000   0.00000   0.00000   1.84709
   A46        1.85359   0.00000   0.00000   0.00000   0.00000   1.85359
   A47        1.96742   0.00000   0.00000   0.00001   0.00001   1.96743
   A48        1.87352   0.00000   0.00000   0.00000   0.00000   1.87352
   A49        1.97267   0.00000  -0.00001   0.00000  -0.00001   1.97266
   A50        1.89954   0.00000   0.00002  -0.00001   0.00001   1.89955
   A51        1.89370   0.00000   0.00000  -0.00001  -0.00001   1.89369
   A52        1.93992   0.00000   0.00003   0.00001   0.00004   1.93996
   A53        1.81653   0.00000  -0.00001  -0.00001  -0.00002   1.81652
   A54        1.88117   0.00000  -0.00001   0.00000  -0.00001   1.88116
   A55        2.00731   0.00000   0.00002  -0.00002   0.00000   2.00731
   A56        1.90716   0.00000  -0.00001   0.00000   0.00000   1.90715
   A57        1.90654   0.00000  -0.00002   0.00001  -0.00001   1.90653
   A58        1.88250   0.00000  -0.00003  -0.00002  -0.00005   1.88245
   A59        1.96835   0.00000  -0.00001  -0.00001  -0.00002   1.96833
   A60        1.91308   0.00000   0.00002   0.00002   0.00004   1.91312
   A61        1.87019   0.00000   0.00002   0.00000   0.00002   1.87021
   A62        1.96038   0.00000   0.00001   0.00000   0.00001   1.96039
   A63        1.87036   0.00000  -0.00001   0.00001   0.00000   1.87036
   A64        1.95500   0.00000   0.00000  -0.00001  -0.00001   1.95499
   A65        1.91268   0.00000  -0.00001   0.00000  -0.00001   1.91268
   A66        1.92759   0.00000   0.00000   0.00000   0.00000   1.92759
   A67        1.91119   0.00000   0.00001   0.00000   0.00000   1.91119
   A68        1.91152   0.00000   0.00000   0.00000   0.00000   1.91152
   A69        1.84246   0.00000   0.00000   0.00001   0.00001   1.84247
   A70        1.97107   0.00000  -0.00001   0.00001   0.00000   1.97107
   A71        1.95124   0.00000   0.00000   0.00000   0.00000   1.95124
   A72        1.93867   0.00000   0.00000  -0.00001  -0.00001   1.93866
   A73        1.87337   0.00000   0.00002  -0.00001   0.00002   1.87339
   A74        1.88499   0.00000   0.00000   0.00001   0.00001   1.88500
   A75        1.83789   0.00000  -0.00001   0.00000  -0.00001   1.83789
   A76        1.94132   0.00000  -0.00003  -0.00004  -0.00006   1.94125
   A77        1.92877   0.00000   0.00000   0.00000   0.00000   1.92877
   A78        1.90894   0.00000   0.00001   0.00001   0.00001   1.90895
   A79        1.91228   0.00000   0.00002   0.00002   0.00004   1.91232
   A80        1.93738   0.00000   0.00001   0.00000   0.00001   1.93739
   A81        1.83232   0.00000   0.00000   0.00001   0.00001   1.83232
   A82        2.01828   0.00000  -0.00002  -0.00001  -0.00004   2.01824
   A83        2.14137   0.00000   0.00001   0.00001   0.00002   2.14139
   A84        2.12337   0.00000   0.00001   0.00001   0.00002   2.12339
   A85        2.13905   0.00000  -0.00001   0.00001   0.00000   2.13905
   A86        2.11614   0.00001   0.00001   0.00001   0.00002   2.11616
   A87        2.02781  -0.00001   0.00000  -0.00002  -0.00002   2.02779
   A88        1.94117   0.00000  -0.00002   0.00001  -0.00001   1.94116
   A89        1.93867   0.00000  -0.00001   0.00000  -0.00001   1.93867
   A90        1.96635   0.00000   0.00004  -0.00002   0.00002   1.96636
   A91        1.87012   0.00000   0.00002  -0.00001   0.00001   1.87014
   A92        1.87093   0.00000  -0.00002   0.00002   0.00000   1.87093
   A93        1.87196   0.00000   0.00000   0.00000  -0.00001   1.87195
   A94        1.95317   0.00000   0.00000  -0.00001  -0.00001   1.95317
   A95        1.96189   0.00000   0.00000   0.00000   0.00000   1.96189
   A96        1.93500   0.00000   0.00000   0.00000   0.00000   1.93500
   A97        1.86217   0.00000  -0.00001   0.00001   0.00000   1.86217
   A98        1.87983   0.00000   0.00001   0.00001   0.00002   1.87985
   A99        1.86703   0.00000   0.00000  -0.00001  -0.00001   1.86702
   A100       2.16351   0.00000   0.00000   0.00000   0.00000   2.16351
   A101       2.01017   0.00000   0.00000   0.00000   0.00000   2.01017
   A102       2.10933   0.00000   0.00000  -0.00001   0.00000   2.10933
   A103       2.14822   0.00000  -0.00001   0.00000  -0.00001   2.14821
   A104       2.13961   0.00000  -0.00001   0.00001   0.00000   2.13960
   A105       1.99528   0.00000   0.00002  -0.00001   0.00001   1.99529
   A106       1.94599   0.00000  -0.00002  -0.00002  -0.00004   1.94595
   A107       1.82634   0.00000  -0.00001  -0.00002  -0.00003   1.82631
   A108       1.90593   0.00000   0.00003   0.00004   0.00006   1.90599
   A109       1.96819   0.00000  -0.00001   0.00003   0.00002   1.96821
   A110       1.92439   0.00000  -0.00001  -0.00002  -0.00003   1.92436
   A111       1.88947   0.00000   0.00003   0.00000   0.00003   1.88950
   A112       2.13164   0.00000   0.00000   0.00000   0.00000   2.13165
   A113       2.14722   0.00000  -0.00001   0.00000  -0.00001   2.14721
   A114       2.00431   0.00000   0.00001   0.00000   0.00000   2.00432
   A115       2.14183   0.00000   0.00000   0.00000   0.00000   2.14182
   A116       2.12398   0.00000  -0.00001   0.00000  -0.00001   2.12397
   A117       2.01738   0.00000   0.00001   0.00000   0.00001   2.01739
    D1       -1.34843   0.00000  -0.00026  -0.00011  -0.00036  -1.34879
    D2        0.68444   0.00000  -0.00024  -0.00009  -0.00033   0.68411
    D3        2.81087   0.00000  -0.00023  -0.00008  -0.00031   2.81056
    D4       -1.23661   0.00000   0.00028   0.00003   0.00031  -1.23629
    D5        2.87610   0.00000   0.00025   0.00005   0.00030   2.87640
    D6        0.85286   0.00000   0.00028   0.00004   0.00032   0.85319
    D7        0.53434   0.00000   0.00037   0.00045   0.00082   0.53517
    D8        2.66705   0.00000   0.00035   0.00046   0.00080   2.66786
    D9       -1.59653   0.00000   0.00038   0.00047   0.00085  -1.59569
   D10        3.03483   0.00000  -0.00002  -0.00002  -0.00004   3.03478
   D11        0.78174   0.00000  -0.00002   0.00000  -0.00002   0.78172
   D12       -1.18980   0.00000  -0.00001  -0.00003  -0.00003  -1.18983
   D13       -1.14017   0.00000   0.00000  -0.00001  -0.00002  -1.14019
   D14        2.88993   0.00000   0.00000   0.00001   0.00001   2.88994
   D15        0.91839   0.00000   0.00001  -0.00002   0.00000   0.91839
   D16        1.00916   0.00000   0.00000  -0.00003  -0.00003   1.00913
   D17       -1.24393   0.00000   0.00000   0.00000   0.00000  -1.24393
   D18        3.06772   0.00000   0.00001  -0.00003  -0.00002   3.06770
   D19        1.45272   0.00000   0.00003   0.00005   0.00009   1.45281
   D20       -0.67262   0.00000   0.00002   0.00002   0.00004  -0.67258
   D21       -2.82834   0.00000   0.00000   0.00004   0.00004  -2.82829
   D22       -0.56637   0.00000   0.00003   0.00005   0.00008  -0.56629
   D23       -2.69172   0.00000   0.00001   0.00002   0.00003  -2.69168
   D24        1.43575   0.00000   0.00000   0.00004   0.00003   1.43579
   D25       -2.74054   0.00000   0.00004   0.00003   0.00007  -2.74047
   D26        1.41730   0.00000   0.00002   0.00000   0.00002   1.41733
   D27       -0.73841   0.00000   0.00001   0.00002   0.00003  -0.73839
   D28        0.96521   0.00000  -0.00003   0.00002  -0.00001   0.96519
   D29       -1.18769   0.00000  -0.00004   0.00002  -0.00002  -1.18771
   D30        3.06365   0.00000  -0.00004   0.00001  -0.00002   3.06362
   D31        2.90012   0.00000  -0.00003   0.00003   0.00000   2.90012
   D32        0.74722   0.00000  -0.00004   0.00003  -0.00001   0.74721
   D33       -1.28463   0.00000  -0.00003   0.00002  -0.00001  -1.28464
   D34       -1.22154   0.00000  -0.00004   0.00005   0.00001  -1.22153
   D35        2.90875   0.00000  -0.00005   0.00005   0.00000   2.90875
   D36        0.87690   0.00000  -0.00005   0.00004   0.00000   0.87690
   D37        1.01708   0.00000  -0.00024   0.00018  -0.00006   1.01702
   D38        3.13202   0.00000  -0.00022   0.00018  -0.00004   3.13198
   D39       -1.10375   0.00000  -0.00023   0.00017  -0.00006  -1.10381
   D40       -0.91473   0.00000  -0.00023   0.00018  -0.00005  -0.91478
   D41        1.20021   0.00000  -0.00021   0.00018  -0.00004   1.20017
   D42       -3.03556   0.00000  -0.00023   0.00017  -0.00006  -3.03561
   D43       -3.13705   0.00000  -0.00024   0.00016  -0.00008  -3.13713
   D44       -1.02211   0.00000  -0.00022   0.00016  -0.00006  -1.02217
   D45        1.02531   0.00000  -0.00023   0.00015  -0.00008   1.02522
   D46        1.08590   0.00000  -0.00001   0.00003   0.00002   1.08592
   D47       -3.04851   0.00000  -0.00003   0.00006   0.00003  -3.04848
   D48       -0.94908   0.00000  -0.00002   0.00004   0.00002  -0.94906
   D49       -3.09078   0.00000   0.00000   0.00001   0.00001  -3.09078
   D50       -0.94201   0.00000  -0.00002   0.00004   0.00002  -0.94200
   D51        1.15742   0.00000  -0.00001   0.00002   0.00000   1.15742
   D52       -0.97668   0.00000   0.00001   0.00002   0.00003  -0.97665
   D53        1.17209   0.00000  -0.00001   0.00005   0.00004   1.17213
   D54       -3.01167   0.00000  -0.00001   0.00003   0.00003  -3.01164
   D55       -0.59245   0.00000   0.00001  -0.00003  -0.00002  -0.59247
   D56        1.49853   0.00000  -0.00001  -0.00004  -0.00005   1.49848
   D57       -2.71457   0.00000  -0.00003  -0.00003  -0.00006  -2.71462
   D58       -2.75822   0.00000   0.00000   0.00001   0.00000  -2.75822
   D59       -0.66723   0.00000  -0.00002  -0.00001  -0.00003  -0.66727
   D60        1.40286   0.00000  -0.00004   0.00000  -0.00004   1.40282
   D61        1.39969   0.00000  -0.00002   0.00000  -0.00002   1.39967
   D62       -2.79251   0.00000  -0.00004  -0.00001  -0.00006  -2.79257
   D63       -0.72242   0.00000  -0.00006   0.00000  -0.00006  -0.72249
   D64        1.11645   0.00000   0.00003  -0.00003   0.00000   1.11645
   D65       -0.87474   0.00000   0.00004  -0.00004   0.00000  -0.87474
   D66        3.11142   0.00000   0.00001  -0.00002   0.00000   3.11141
   D67       -1.02712   0.00000   0.00004  -0.00005  -0.00001  -1.02713
   D68       -3.01831   0.00000   0.00005  -0.00006  -0.00001  -3.01833
   D69        0.96784   0.00000   0.00002  -0.00004  -0.00002   0.96783
   D70       -3.10696   0.00000   0.00005  -0.00005   0.00000  -3.10696
   D71        1.18503   0.00000   0.00006  -0.00006   0.00000   1.18503
   D72       -1.11200   0.00000   0.00003  -0.00004   0.00000  -1.11200
   D73       -3.05398   0.00000   0.00002  -0.00002   0.00000  -3.05398
   D74        1.10438   0.00000   0.00002  -0.00001   0.00001   1.10439
   D75       -0.91824   0.00000   0.00002  -0.00002   0.00000  -0.91824
   D76       -0.93498   0.00000   0.00000   0.00001   0.00001  -0.93498
   D77       -3.05980   0.00000   0.00000   0.00002   0.00001  -3.05979
   D78        1.20076   0.00000   0.00000   0.00000   0.00001   1.20077
   D79        1.12574   0.00000   0.00000   0.00001   0.00000   1.12575
   D80       -0.99907   0.00000   0.00000   0.00002   0.00001  -0.99906
   D81       -3.02170   0.00000   0.00000   0.00000   0.00000  -3.02169
   D82        2.93930   0.00000  -0.00008   0.00003  -0.00004   2.93926
   D83       -1.28571   0.00000  -0.00006   0.00002  -0.00004  -1.28575
   D84        0.86537   0.00000  -0.00007   0.00002  -0.00005   0.86532
   D85       -1.30439   0.00000  -0.00008   0.00004  -0.00004  -1.30443
   D86        0.75378   0.00000  -0.00006   0.00002  -0.00003   0.75374
   D87        2.90486   0.00000  -0.00007   0.00003  -0.00005   2.90481
   D88        0.96188   0.00000  -0.00007   0.00001  -0.00005   0.96183
   D89        3.02006   0.00000  -0.00004   0.00000  -0.00005   3.02001
   D90       -1.11205   0.00000  -0.00006   0.00000  -0.00006  -1.11211
   D91        1.08665   0.00000  -0.00009   0.00001  -0.00008   1.08658
   D92       -3.13489   0.00000  -0.00009  -0.00001  -0.00010  -3.13498
   D93       -1.05269   0.00000  -0.00009   0.00001  -0.00008  -1.05277
   D94       -0.94685   0.00000  -0.00007   0.00000  -0.00007  -0.94692
   D95        1.11480   0.00000  -0.00007  -0.00002  -0.00009   1.11471
   D96       -3.08619   0.00000  -0.00008   0.00000  -0.00007  -3.08627
   D97        3.05298   0.00000  -0.00011   0.00003  -0.00008   3.05290
   D98       -1.16856   0.00000  -0.00011   0.00001  -0.00009  -1.16865
   D99        0.91363   0.00000  -0.00011   0.00003  -0.00008   0.91355
   D100      -1.76087   0.00000  -0.00002  -0.00006  -0.00008  -1.76095
   D101       0.40830   0.00000  -0.00003  -0.00006  -0.00009   0.40822
   D102       2.49260   0.00000  -0.00003  -0.00006  -0.00009   2.49250
   D103       0.32805   0.00000  -0.00001  -0.00004  -0.00005   0.32799
   D104       2.49722   0.00000  -0.00002  -0.00003  -0.00006   2.49717
   D105      -1.70167   0.00000  -0.00003  -0.00003  -0.00006  -1.70173
   D106       2.49746   0.00000  -0.00002  -0.00007  -0.00008   2.49737
   D107      -1.61655   0.00000  -0.00003  -0.00006  -0.00009  -1.61664
   D108       0.46774   0.00000  -0.00003  -0.00006  -0.00010   0.46765
   D109      -2.63577   0.00000   0.00037   0.00003   0.00040  -2.63537
   D110       0.48533   0.00000   0.00036   0.00004   0.00040   0.48573
   D111       1.57113   0.00000   0.00039   0.00003   0.00043   1.57156
   D112      -1.59096   0.00000   0.00038   0.00004   0.00042  -1.59053
   D113      -0.50453   0.00000   0.00038   0.00005   0.00043  -0.50409
   D114       2.61657   0.00000   0.00037   0.00006   0.00043   2.61700
   D115       0.15850   0.00000   0.00000   0.00004   0.00004   0.15854
   D116      -2.00742   0.00000   0.00002   0.00002   0.00004  -2.00738
   D117       2.17064   0.00000   0.00001   0.00003   0.00004   2.17068
   D118      -1.94504   0.00000   0.00002   0.00005   0.00007  -1.94496
   D119       2.17223   0.00000   0.00003   0.00004   0.00007   2.17230
   D120       0.06709   0.00000   0.00003   0.00005   0.00008   0.06717
   D121       2.27746   0.00000   0.00006   0.00003   0.00009   2.27755
   D122       0.11153   0.00000   0.00007   0.00002   0.00009   0.11162
   D123      -1.99360   0.00000   0.00006   0.00003   0.00010  -1.99350
   D124       1.32543   0.00000   0.00010  -0.00002   0.00007   1.32550
   D125      -0.80099   0.00000   0.00006  -0.00002   0.00004  -0.80095
   D126      -2.95240   0.00000   0.00007  -0.00002   0.00005  -2.95235
   D127      -2.80179   0.00000   0.00010  -0.00002   0.00008  -2.80171
   D128       1.35497   0.00000   0.00006  -0.00002   0.00004   1.35502
   D129      -0.79644   0.00000   0.00007  -0.00002   0.00006  -0.79638
   D130      -0.79434   0.00000   0.00010  -0.00003   0.00008  -0.79427
   D131      -2.92076   0.00000   0.00006  -0.00002   0.00004  -2.92072
   D132       1.21101   0.00000   0.00007  -0.00002   0.00005   1.21106
   D133       0.95172   0.00000   0.00009   0.00004   0.00013   0.95185
   D134       3.03308   0.00000   0.00009   0.00004   0.00013   3.03321
   D135      -1.14942   0.00000   0.00011   0.00002   0.00013  -1.14929
   D136       3.05389   0.00000   0.00008   0.00005   0.00013   3.05402
   D137      -1.14794   0.00000   0.00008   0.00005   0.00013  -1.14781
   D138       0.95275   0.00000   0.00009   0.00003   0.00012   0.95288
   D139      -1.12084   0.00000   0.00009   0.00004   0.00013  -1.12071
   D140       0.96052   0.00000   0.00010   0.00004   0.00013   0.96065
   D141       3.06121   0.00000   0.00011   0.00002   0.00013   3.06134
   D142       0.96760   0.00000   0.00010   0.00009   0.00019   0.96779
   D143      -2.19334   0.00000   0.00019   0.00007   0.00026  -2.19308
   D144      -1.15609   0.00000   0.00012   0.00011   0.00023  -1.15586
   D145       1.96616   0.00000   0.00020   0.00009   0.00030   1.96646
   D146       3.07764   0.00000   0.00012   0.00010   0.00021   3.07785
   D147      -0.08330   0.00000   0.00020   0.00008   0.00028  -0.08302
   D148      -0.88016   0.00000  -0.00005   0.00007   0.00002  -0.88014
   D149       1.21509   0.00000  -0.00006   0.00007   0.00001   1.21511
   D150      -2.97933   0.00000  -0.00006   0.00006   0.00000  -2.97933
   D151       1.18869   0.00000  -0.00008   0.00004  -0.00004   1.18865
   D152      -2.99924   0.00000  -0.00009   0.00004  -0.00005  -2.99929
   D153      -0.91048   0.00000  -0.00009   0.00003  -0.00006  -0.91055
   D154      -2.98695   0.00000  -0.00006   0.00005  -0.00002  -2.98696
   D155      -0.89169   0.00000  -0.00007   0.00005  -0.00002  -0.89171
   D156       1.19707   0.00000  -0.00008   0.00004  -0.00004   1.19703
   D157       2.17152   0.00000  -0.00022  -0.00011  -0.00033   2.17119
   D158      -0.99011   0.00000  -0.00024  -0.00012  -0.00036  -0.99047
   D159       0.07917   0.00000  -0.00020  -0.00009  -0.00030   0.07887
   D160      -3.08246   0.00000  -0.00022  -0.00011  -0.00032  -3.08279
   D161      -1.97019   0.00000  -0.00023  -0.00010  -0.00033  -1.97051
   D162       1.15137   0.00000  -0.00024  -0.00012  -0.00036   1.15101
   D163       0.90920   0.00000   0.00002   0.00006   0.00008   0.90928
   D164      -1.21890   0.00000   0.00002   0.00005   0.00007  -1.21882
   D165       3.05545   0.00000   0.00001   0.00004   0.00006   3.05550
   D166       3.03488   0.00000   0.00002   0.00005   0.00006   3.03494
   D167       0.90678   0.00000   0.00001   0.00005   0.00006   0.90684
   D168      -1.10206   0.00000   0.00001   0.00004   0.00004  -1.10202
   D169      -1.23567   0.00000   0.00002   0.00006   0.00008  -1.23559
   D170       2.91941   0.00000   0.00002   0.00006   0.00007   2.91949
   D171       0.91057   0.00000   0.00002   0.00004   0.00006   0.91063
   D172      -0.96041   0.00000  -0.00007  -0.00012  -0.00019  -0.96060
   D173       2.20031   0.00000  -0.00016  -0.00010  -0.00026   2.20005
   D174       1.17724   0.00000  -0.00008  -0.00013  -0.00021   1.17703
   D175      -1.94523   0.00000  -0.00016  -0.00011  -0.00027  -1.94550
   D176      -3.09024   0.00000  -0.00007  -0.00010  -0.00017  -3.09041
   D177       0.07048   0.00000  -0.00015  -0.00009  -0.00024   0.07025
   D178       0.02747   0.00000   0.00008   0.00004   0.00012   0.02758
   D179      -3.12852   0.00000   0.00002   0.00005   0.00007  -3.12845
   D180      -3.13462   0.00000   0.00017   0.00002   0.00019  -3.13443
   D181      -0.00742   0.00000   0.00011   0.00003   0.00014  -0.00728
   D182      -0.27233   0.00000  -0.00028  -0.00028  -0.00056  -0.27289
   D183      -2.32105   0.00000  -0.00025  -0.00026  -0.00050  -2.32155
   D184       1.84786   0.00000  -0.00027  -0.00026  -0.00053   1.84733
   D185       2.88946   0.00000  -0.00027  -0.00028  -0.00055   2.88891
   D186       0.84074   0.00000  -0.00024  -0.00026  -0.00050   0.84024
   D187      -1.27353   0.00000  -0.00026  -0.00027  -0.00053  -1.27405
   D188      -0.01840   0.00000  -0.00007  -0.00001  -0.00008  -0.01848
   D189       3.12705   0.00000  -0.00005  -0.00001  -0.00006   3.12699
   D190      -3.13887   0.00000  -0.00006   0.00001  -0.00005  -3.13892
   D191       0.00658   0.00000  -0.00003   0.00000  -0.00003   0.00655
   D192      -3.10146   0.00000  -0.00036  -0.00015  -0.00051  -3.10197
   D193       0.03934   0.00000  -0.00036  -0.00014  -0.00050   0.03885
   D194       0.05344   0.00000  -0.00030  -0.00016  -0.00046   0.05298
   D195      -3.08894   0.00000  -0.00030  -0.00015  -0.00045  -3.08939
   D196       3.09659   0.00000   0.00036   0.00013   0.00049   3.09708
   D197      -0.04422   0.00000   0.00036   0.00012   0.00048  -0.04375
   D198      -0.04857   0.00000   0.00033   0.00014   0.00047  -0.04810
   D199       3.09380   0.00000   0.00033   0.00013   0.00046   3.09426
         Item               Value     Threshold  Converged?
 Maximum Force            0.000008     0.000450     YES
 RMS     Force            0.000002     0.000300     YES
 Maximum Displacement     0.002129     0.001800     NO 
 RMS     Displacement     0.000259     0.001200     YES
 Predicted change in Energy=-1.163530D-08
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C22H29FO5
 Framework group  C1[X(C22H29FO5)]
 Deg. of freedom   165
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          9           0        1.537191    0.051688   -1.391072
      2          8           0       -3.018674    0.240403   -1.810948
      3          8           0        0.337281   -2.204527    1.136029
      4          8           0       -4.876377   -0.147207    1.046274
      5          8           0       -5.559714   -2.441027   -0.208153
      6          8           0        6.485357   -0.157124   -1.399313
      7          6           0       -1.652798   -0.132877    0.207147
      8          6           0       -0.752731    1.122155   -0.014080
      9          6           0        0.627606    0.926639    0.625465
     10          6           0        1.330858   -0.276480   -0.066922
     11          6           0       -3.009877    0.397155   -0.384242
     12          6           0       -1.627531    2.298256    0.449998
     13          6           0       -1.027808   -1.311549   -0.551061
     14          6           0       -3.078373    1.893696    0.071198
     15          6           0        0.435078   -1.561882   -0.145271
     16          6           0        2.775828   -0.508270    0.511908
     17          6           0        1.470032    2.207966    0.525279
     18          6           0       -1.859800   -0.496557    1.678724
     19          6           0        2.895948    2.000091    1.046616
     20          6           0        3.544698    0.810574    0.396961
     21          6           0       -4.240091   -0.413738    0.052350
     22          6           0       -3.693480    2.802039   -0.984220
     23          6           0        2.765741   -0.899801    2.001026
     24          6           0        3.452374   -1.637898   -0.243781
     25          6           0        4.730895    0.905788   -0.220456
     26          6           0       -4.639017   -1.565045   -0.852691
     27          6           0        4.630708   -1.522577   -0.858227
     28          6           0        5.393294   -0.241353   -0.877174
     29          1           0       -0.602519    1.253664   -1.118190
     30          1           0        0.501342    0.657644    1.705917
     31          1           0       -1.543095    2.463563    1.537471
     32          1           0       -1.325272    3.243907   -0.026860
     33          1           0       -1.096366   -1.146782   -1.645789
     34          1           0       -1.601820   -2.241305   -0.347871
     35          1           0       -3.717573    1.934094    0.991752
     36          1           0        0.895536   -2.289545   -0.857861
     37          1           0        0.981200    3.019558    1.098973
     38          1           0        1.507475    2.565952   -0.523905
     39          1           0       -2.308812    0.315002    2.259450
     40          1           0       -2.504989   -1.377195    1.794126
     41          1           0       -0.905791   -0.770296    2.157219
     42          1           0        2.891451    1.865407    2.149238
     43          1           0        3.490040    2.922154    0.872369
     44          1           0       -4.682741    2.438409   -1.294168
     45          1           0       -3.829338    3.820007   -0.598058
     46          1           0       -3.077983    2.876605   -1.887821
     47          1           0        2.156730   -0.211350    2.601504
     48          1           0        2.358689   -1.908489    2.166743
     49          1           0        3.783697   -0.892828    2.414429
     50          1           0       -2.475876    0.939191   -2.238482
     51          1           0        2.913069   -2.586814   -0.240859
     52          1           0        1.191617   -2.627505    1.386373
     53          1           0        5.283250    1.844507   -0.291016
     54          1           0       -3.781836   -2.212048   -1.126907
     55          1           0       -5.096598   -1.178058   -1.788610
     56          1           0        5.109656   -2.349066   -1.386301
     57          1           0       -6.120175   -1.935710    0.434405
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.4208297      0.1032081      0.0947998
 Standard basis: VSTO-6G (5D, 7F)
 There are   141 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   141 basis functions,   846 primitive gaussians,   141 cartesian basis functions
    77 alpha electrons       77 beta electrons
       nuclear repulsion energy      1659.8807975437 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   141 RedAO= F  NBF=   141
 NBsUse=   141 1.00D-04 NBFU=   141
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=982442.
 SCF Done:  E(RPM6) = -0.418005412222     A.U. after    9 cycles
             Convg  =    0.5594D-08             -V/T =  0.9987
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        9          -0.000000932   -0.000000189   -0.000003664
      2        8          -0.000001167    0.000000051   -0.000006290
      3        8           0.000004907    0.000004635   -0.000000609
      4        8          -0.000003325   -0.000002444   -0.000003554
      5        8          -0.000014143   -0.000007076   -0.000014889
      6        8          -0.000003381   -0.000000618    0.000000544
      7        6           0.000004143    0.000003468   -0.000003401
      8        6          -0.000003936    0.000001657    0.000001777
      9        6           0.000004047   -0.000002449    0.000009070
     10        6          -0.000003737   -0.000001640    0.000006860
     11        6          -0.000002465   -0.000006230    0.000009493
     12        6           0.000000760   -0.000002261   -0.000001980
     13        6          -0.000004176   -0.000003142   -0.000001618
     14        6           0.000004609    0.000007025    0.000003613
     15        6           0.000007711    0.000001456   -0.000004208
     16        6           0.000005947    0.000003679   -0.000002728
     17        6          -0.000001812    0.000001022    0.000002867
     18        6           0.000000396   -0.000001947   -0.000001681
     19        6           0.000001747   -0.000003502   -0.000004379
     20        6           0.000001749    0.000000952    0.000002706
     21        6           0.000000972    0.000005639    0.000000629
     22        6          -0.000006234    0.000000713   -0.000001461
     23        6          -0.000000872   -0.000000279   -0.000001716
     24        6          -0.000001530   -0.000003290    0.000000814
     25        6          -0.000001744   -0.000002597   -0.000001519
     26        6           0.000009692   -0.000005966    0.000003763
     27        6          -0.000002021    0.000000900   -0.000001924
     28        6           0.000002970    0.000000243    0.000003850
     29        1           0.000002422   -0.000000974   -0.000001383
     30        1          -0.000000298    0.000001703   -0.000005609
     31        1          -0.000000953    0.000001453   -0.000001138
     32        1           0.000000439   -0.000001205    0.000003027
     33        1           0.000000582   -0.000000746    0.000001183
     34        1           0.000000144    0.000002000   -0.000000208
     35        1          -0.000002454   -0.000001131   -0.000002040
     36        1          -0.000001075   -0.000001574   -0.000000317
     37        1          -0.000000182   -0.000000314   -0.000000100
     38        1          -0.000000598    0.000001141   -0.000000569
     39        1          -0.000002413    0.000001287   -0.000000119
     40        1          -0.000000974    0.000001041   -0.000000884
     41        1           0.000000281    0.000000227    0.000001180
     42        1          -0.000000499   -0.000000408    0.000002007
     43        1           0.000000172    0.000000786   -0.000000916
     44        1           0.000000437   -0.000001210   -0.000001802
     45        1           0.000000316   -0.000000423    0.000000334
     46        1           0.000004902    0.000000680    0.000001443
     47        1          -0.000001287   -0.000000823    0.000000231
     48        1           0.000000822    0.000001395    0.000000062
     49        1          -0.000000676    0.000001303    0.000000204
     50        1           0.000000106   -0.000000555    0.000002732
     51        1           0.000000309    0.000000717   -0.000000422
     52        1          -0.000008611   -0.000004664    0.000003281
     53        1           0.000001215    0.000001779   -0.000000937
     54        1          -0.000003015    0.000000028    0.000000209
     55        1           0.000000385   -0.000000736   -0.000001274
     56        1           0.000001251    0.000000294   -0.000000411
     57        1           0.000011075    0.000011116    0.000011872
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000014889 RMS     0.000003623

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.000019666 RMS     0.000001685
 Search for a local minimum.
 Step number  33 out of a maximum of  342
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   19   20   21   22   23
                                                     24   25   26   27   28
                                                     29   30   31   32   33
 DE= -1.82D-08 DEPred=-1.16D-08 R= 1.56D+00
 Trust test= 1.56D+00 RLast= 3.03D-03 DXMaxT set to 1.86D+00
     Eigenvalues ---    0.00066   0.00111   0.00156   0.00202   0.00215
     Eigenvalues ---    0.00263   0.00286   0.00407   0.00476   0.00510
     Eigenvalues ---    0.00542   0.00613   0.00698   0.00822   0.01079
     Eigenvalues ---    0.01420   0.01448   0.01567   0.01691   0.01774
     Eigenvalues ---    0.02094   0.02219   0.02341   0.02388   0.02604
     Eigenvalues ---    0.03056   0.03412   0.03750   0.03813   0.03930
     Eigenvalues ---    0.04067   0.04155   0.04292   0.04432   0.04585
     Eigenvalues ---    0.04716   0.04758   0.04876   0.04993   0.05026
     Eigenvalues ---    0.05127   0.05211   0.05248   0.05290   0.05353
     Eigenvalues ---    0.05377   0.05450   0.05537   0.05554   0.05650
     Eigenvalues ---    0.05800   0.05975   0.06143   0.06282   0.06800
     Eigenvalues ---    0.06922   0.07034   0.07092   0.07171   0.07398
     Eigenvalues ---    0.07811   0.08048   0.08184   0.08324   0.08358
     Eigenvalues ---    0.08383   0.09083   0.09268   0.09387   0.10677
     Eigenvalues ---    0.11263   0.11790   0.12008   0.12938   0.13266
     Eigenvalues ---    0.13787   0.14371   0.14979   0.15146   0.15600
     Eigenvalues ---    0.15811   0.15912   0.15950   0.16001   0.16007
     Eigenvalues ---    0.16012   0.16035   0.16065   0.16070   0.16172
     Eigenvalues ---    0.16314   0.16368   0.16845   0.17086   0.17809
     Eigenvalues ---    0.19014   0.19432   0.19862   0.20383   0.21205
     Eigenvalues ---    0.21408   0.22341   0.22945   0.23451   0.24066
     Eigenvalues ---    0.24916   0.25300   0.25342   0.26085   0.26608
     Eigenvalues ---    0.26811   0.27639   0.27874   0.28026   0.28499
     Eigenvalues ---    0.29199   0.29673   0.29893   0.30748   0.31164
     Eigenvalues ---    0.31462   0.32177   0.32308   0.32627   0.33518
     Eigenvalues ---    0.33586   0.33859   0.33906   0.33927   0.34015
     Eigenvalues ---    0.34066   0.34090   0.34122   0.34128   0.34195
     Eigenvalues ---    0.34216   0.34257   0.34273   0.34319   0.34345
     Eigenvalues ---    0.34389   0.34426   0.34534   0.34550   0.34670
     Eigenvalues ---    0.34746   0.35125   0.35151   0.35446   0.35545
     Eigenvalues ---    0.36055   0.38262   0.40027   0.43080   0.44636
     Eigenvalues ---    0.45958   0.48152   0.49183   0.52082   0.53608
     Eigenvalues ---    0.54339   0.57661   0.58411   0.89865   0.92826
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    33   32   31   30   29
 RFO step:  Lambda= 0.00000000D+00.
 DIIS coeffs:      1.54737     -0.35061     -0.54388      0.41870     -0.07158
 Iteration  1 RMS(Cart)=  0.00022805 RMS(Int)=  0.00000003
 Iteration  2 RMS(Cart)=  0.00000004 RMS(Int)=  0.00000001
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.60730   0.00000   0.00000  -0.00001  -0.00001   2.60729
    R2        2.71236   0.00000  -0.00001  -0.00001  -0.00002   2.71234
    R3        1.85705   0.00000   0.00001   0.00000   0.00000   1.85706
    R4        2.71509   0.00000   0.00000  -0.00001  -0.00001   2.71508
    R5        1.86258  -0.00001   0.00003  -0.00002   0.00001   1.86259
    R6        2.28632   0.00001   0.00000   0.00000   0.00000   2.28632
    R7        2.69275   0.00001   0.00001   0.00000   0.00002   2.69276
    R8        1.87297  -0.00002   0.00001  -0.00003  -0.00001   1.87296
    R9        2.29298   0.00000   0.00000   0.00000   0.00000   2.29298
   R10        2.94832   0.00000   0.00000   0.00001   0.00000   2.94832
   R11        2.97134   0.00000   0.00002  -0.00001   0.00002   2.97136
   R12        2.89983   0.00000   0.00000  -0.00001  -0.00001   2.89982
   R13        2.89113   0.00000   0.00001  -0.00001   0.00001   2.89113
   R14        2.89848   0.00000  -0.00002   0.00002   0.00000   2.89848
   R15        2.90542   0.00000  -0.00001   0.00000  -0.00001   2.90542
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   R17        2.94061   0.00000   0.00001  -0.00001   0.00000   2.94061
   R18        2.90399   0.00000   0.00001  -0.00001   0.00000   2.90399
   R19        2.11757   0.00001   0.00001   0.00001   0.00002   2.11759
   R20        2.96441   0.00000  -0.00002   0.00000  -0.00001   2.96440
   R21        2.97397   0.00000   0.00002   0.00000   0.00002   2.97399
   R22        2.95895   0.00000  -0.00001  -0.00001  -0.00002   2.95893
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   R27        2.90758   0.00000   0.00002  -0.00001   0.00000   2.90758
   R28        2.09604   0.00000   0.00000   0.00000   0.00000   2.09605
   R29        2.10025   0.00000   0.00001   0.00000   0.00001   2.10026
   R30        2.87670   0.00000   0.00001   0.00000   0.00000   2.87671
   R31        2.11922   0.00000   0.00000   0.00001   0.00001   2.11922
   R32        2.11219   0.00000   0.00001  -0.00001   0.00000   2.11219
   R33        2.89302   0.00000   0.00000   0.00000   0.00000   2.89303
   R34        2.90973   0.00000   0.00000   0.00000   0.00000   2.90973
   R35        2.86893   0.00000  -0.00001   0.00000  -0.00001   2.86891
   R36        2.89581   0.00000   0.00000   0.00001   0.00002   2.89583
   R37        2.09305   0.00000   0.00000   0.00000   0.00000   2.09305
   R38        2.09610   0.00000  -0.00001   0.00000  -0.00001   2.09609
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   R40        2.07449   0.00000   0.00001   0.00000   0.00001   2.07450
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   R46        2.86825   0.00000  -0.00001   0.00001   0.00000   2.86825
   R47        2.07606   0.00000   0.00001  -0.00001   0.00000   2.07606
   R48        2.07340   0.00000   0.00000   0.00000   0.00000   2.07340
   R49        2.07086   0.00000   0.00000   0.00001   0.00001   2.07087
   R50        2.07477   0.00000   0.00000   0.00000   0.00000   2.07478
   R51        2.07922   0.00000   0.00001   0.00000   0.00001   2.07923
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   R53        2.52072   0.00000   0.00000   0.00000   0.00000   2.52072
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   R60        2.06261   0.00000   0.00000   0.00000   0.00000   2.06261
    A1        1.92987   0.00000   0.00003   0.00000   0.00002   1.92989
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    A6        1.98850   0.00000   0.00000   0.00002   0.00002   1.98852
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   A10        1.93640   0.00000   0.00000   0.00001   0.00001   1.93640
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   A17        1.93893   0.00000   0.00001   0.00000   0.00002   1.93895
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   A31        1.82403   0.00000   0.00001   0.00000   0.00001   1.82404
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   A33        1.96782   0.00000   0.00001   0.00000   0.00002   1.96783
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   A35        1.94831   0.00000  -0.00001   0.00001  -0.00001   1.94831
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   A39        1.85161   0.00000   0.00001   0.00001   0.00002   1.85162
   A40        1.96264   0.00000   0.00000   0.00000   0.00000   1.96264
   A41        1.92665   0.00000  -0.00001   0.00000  -0.00001   1.92664
   A42        1.91971   0.00000   0.00001   0.00001   0.00002   1.91973
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   A45        1.84709   0.00000   0.00000   0.00001   0.00001   1.84709
   A46        1.85359   0.00000   0.00000   0.00001   0.00001   1.85360
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   A50        1.89955   0.00000   0.00001   0.00000   0.00001   1.89955
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   A53        1.81652   0.00000  -0.00001  -0.00001  -0.00002   1.81649
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   A57        1.90653   0.00000   0.00000   0.00000  -0.00001   1.90652
   A58        1.88245   0.00000  -0.00003  -0.00001  -0.00004   1.88241
   A59        1.96833   0.00000  -0.00002   0.00000  -0.00002   1.96831
   A60        1.91312   0.00000   0.00001  -0.00001   0.00001   1.91313
   A61        1.87021   0.00000   0.00003   0.00002   0.00004   1.87025
   A62        1.96039   0.00000   0.00001   0.00000   0.00001   1.96040
   A63        1.87036   0.00000   0.00001   0.00000   0.00000   1.87037
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   A65        1.91268   0.00000   0.00000   0.00000   0.00000   1.91268
   A66        1.92759   0.00000   0.00000  -0.00001  -0.00001   1.92758
   A67        1.91119   0.00000   0.00000   0.00000   0.00000   1.91120
   A68        1.91152   0.00000   0.00000   0.00000   0.00001   1.91153
   A69        1.84247   0.00000   0.00001   0.00000   0.00001   1.84248
   A70        1.97107   0.00000   0.00001   0.00000   0.00001   1.97108
   A71        1.95124   0.00000   0.00000  -0.00001  -0.00001   1.95123
   A72        1.93866   0.00000  -0.00002   0.00000  -0.00001   1.93864
   A73        1.87339   0.00000   0.00000   0.00000   0.00000   1.87338
   A74        1.88500   0.00000   0.00002   0.00001   0.00002   1.88503
   A75        1.83789   0.00000  -0.00001   0.00000  -0.00001   1.83788
   A76        1.94125   0.00000  -0.00004  -0.00002  -0.00006   1.94119
   A77        1.92877   0.00000   0.00000   0.00000   0.00001   1.92878
   A78        1.90895   0.00000   0.00001   0.00001   0.00002   1.90897
   A79        1.91232   0.00000   0.00003   0.00001   0.00003   1.91235
   A80        1.93739   0.00000   0.00001   0.00000   0.00001   1.93740
   A81        1.83232   0.00000   0.00000   0.00000   0.00000   1.83233
   A82        2.01824   0.00000  -0.00002   0.00000  -0.00002   2.01822
   A83        2.14139   0.00000   0.00001   0.00000   0.00001   2.14140
   A84        2.12339   0.00000   0.00001   0.00000   0.00001   2.12340
   A85        2.13905   0.00000   0.00000   0.00000   0.00000   2.13905
   A86        2.11616   0.00000   0.00002   0.00001   0.00003   2.11619
   A87        2.02779  -0.00001  -0.00002  -0.00001  -0.00003   2.02776
   A88        1.94116   0.00000   0.00000   0.00000   0.00000   1.94116
   A89        1.93867   0.00000  -0.00001   0.00000   0.00000   1.93866
   A90        1.96636   0.00000   0.00000  -0.00002  -0.00002   1.96635
   A91        1.87014   0.00000   0.00001   0.00000   0.00000   1.87014
   A92        1.87093   0.00000   0.00001   0.00001   0.00003   1.87096
   A93        1.87195   0.00000  -0.00001   0.00000  -0.00001   1.87194
   A94        1.95317   0.00000  -0.00001   0.00000   0.00000   1.95316
   A95        1.96189   0.00000  -0.00001   0.00000  -0.00001   1.96188
   A96        1.93500   0.00000   0.00000   0.00000   0.00000   1.93500
   A97        1.86217   0.00000   0.00001   0.00000   0.00001   1.86217
   A98        1.87985   0.00000   0.00002   0.00000   0.00002   1.87987
   A99        1.86702   0.00000  -0.00002   0.00000  -0.00002   1.86700
   A100       2.16351   0.00000   0.00001   0.00000   0.00001   2.16352
   A101       2.01017   0.00000   0.00000   0.00000   0.00000   2.01016
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   A104       2.13960   0.00000   0.00000   0.00000   0.00001   2.13961
   A105       1.99529   0.00000   0.00000   0.00000   0.00000   1.99528
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   A107       1.82631   0.00000  -0.00001  -0.00002  -0.00003   1.82628
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   A111       1.88950   0.00000   0.00002   0.00000   0.00001   1.88951
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    D3        2.81056   0.00000  -0.00035   0.00006  -0.00029   2.81027
    D4       -1.23629   0.00000   0.00020  -0.00006   0.00014  -1.23615
    D5        2.87640   0.00000   0.00020  -0.00005   0.00015   2.87655
    D6        0.85319   0.00000   0.00021  -0.00005   0.00016   0.85335
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    D8        2.66786   0.00000   0.00003   0.00029   0.00032   2.66817
    D9       -1.59569   0.00000   0.00005   0.00028   0.00033  -1.59536
   D10        3.03478   0.00000  -0.00003   0.00002  -0.00001   3.03477
   D11        0.78172   0.00000  -0.00002   0.00000  -0.00002   0.78170
   D12       -1.18983   0.00000  -0.00003   0.00001  -0.00002  -1.18985
   D13       -1.14019   0.00000  -0.00002   0.00002  -0.00001  -1.14019
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   D15        0.91839   0.00000  -0.00003   0.00001  -0.00002   0.91837
   D16        1.00913   0.00000  -0.00003   0.00003   0.00000   1.00914
   D17       -1.24393   0.00000  -0.00002   0.00001  -0.00001  -1.24394
   D18        3.06770   0.00000  -0.00003   0.00002  -0.00001   3.06770
   D19        1.45281   0.00000   0.00009   0.00003   0.00013   1.45293
   D20       -0.67258   0.00000   0.00005   0.00003   0.00008  -0.67250
   D21       -2.82829   0.00000   0.00005   0.00003   0.00008  -2.82821
   D22       -0.56629   0.00000   0.00010   0.00003   0.00013  -0.56616
   D23       -2.69168   0.00000   0.00006   0.00002   0.00008  -2.69160
   D24        1.43579   0.00000   0.00006   0.00003   0.00009   1.43588
   D25       -2.74047   0.00000   0.00009   0.00005   0.00014  -2.74033
   D26        1.41733   0.00000   0.00005   0.00004   0.00009   1.41742
   D27       -0.73839   0.00000   0.00005   0.00005   0.00010  -0.73829
   D28        0.96519   0.00000   0.00002   0.00000   0.00002   0.96522
   D29       -1.18771   0.00000   0.00002   0.00001   0.00003  -1.18768
   D30        3.06362   0.00000   0.00002   0.00000   0.00002   3.06364
   D31        2.90012   0.00000   0.00002   0.00001   0.00003   2.90015
   D32        0.74721   0.00000   0.00002   0.00002   0.00004   0.74725
   D33       -1.28464   0.00000   0.00002   0.00001   0.00003  -1.28461
   D34       -1.22153   0.00000   0.00003  -0.00003   0.00001  -1.22153
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   D36        0.87690   0.00000   0.00003  -0.00002   0.00000   0.87690
   D37        1.01702   0.00000   0.00011   0.00014   0.00025   1.01727
   D38        3.13198   0.00000   0.00011   0.00013   0.00024   3.13222
   D39       -1.10381   0.00000   0.00009   0.00013   0.00022  -1.10359
   D40       -0.91478   0.00000   0.00011   0.00013   0.00024  -0.91454
   D41        1.20017   0.00000   0.00011   0.00012   0.00024   1.20041
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   D43       -3.13713   0.00000   0.00009   0.00015   0.00025  -3.13688
   D44       -1.02217   0.00000   0.00010   0.00014   0.00024  -1.02193
   D45        1.02522   0.00000   0.00008   0.00014   0.00022   1.02545
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   D52       -0.97665   0.00000   0.00001  -0.00002  -0.00001  -0.97666
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   D58       -2.75822   0.00000  -0.00002  -0.00004  -0.00006  -2.75827
   D59       -0.66727   0.00000  -0.00005  -0.00003  -0.00008  -0.66735
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   D61        1.39967   0.00000  -0.00001  -0.00002  -0.00004   1.39963
   D62       -2.79257   0.00000  -0.00005  -0.00002  -0.00006  -2.79264
   D63       -0.72249   0.00000  -0.00004   0.00000  -0.00004  -0.72253
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   D65       -0.87474   0.00000   0.00001  -0.00001   0.00001  -0.87474
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   D67       -1.02713   0.00000  -0.00001   0.00001   0.00000  -1.02714
   D68       -3.01833   0.00000  -0.00001   0.00000  -0.00001  -3.01834
   D69        0.96783   0.00000  -0.00002   0.00001  -0.00001   0.96782
   D70       -3.10696   0.00000   0.00000   0.00001   0.00001  -3.10695
   D71        1.18503   0.00000   0.00000   0.00000   0.00000   1.18503
   D72       -1.11200   0.00000   0.00000   0.00001   0.00001  -1.11200
   D73       -3.05398   0.00000  -0.00002  -0.00001  -0.00003  -3.05401
   D74        1.10439   0.00000  -0.00001  -0.00001  -0.00003   1.10437
   D75       -0.91824   0.00000  -0.00002  -0.00001  -0.00003  -0.91827
   D76       -0.93498   0.00000   0.00000  -0.00002  -0.00002  -0.93500
   D77       -3.05979   0.00000   0.00000  -0.00002  -0.00002  -3.05981
   D78        1.20077   0.00000   0.00000  -0.00002  -0.00002   1.20074
   D79        1.12575   0.00000  -0.00001  -0.00003  -0.00004   1.12571
   D80       -0.99906   0.00000   0.00000  -0.00003  -0.00004  -0.99910
   D81       -3.02169   0.00000  -0.00001  -0.00003  -0.00004  -3.02173
   D82        2.93926   0.00000  -0.00002   0.00004   0.00002   2.93928
   D83       -1.28575   0.00000  -0.00002   0.00003   0.00001  -1.28574
   D84        0.86532   0.00000  -0.00004   0.00003  -0.00001   0.86532
   D85       -1.30443   0.00000  -0.00002   0.00005   0.00002  -1.30441
   D86        0.75374   0.00000  -0.00002   0.00003   0.00001   0.75376
   D87        2.90481   0.00000  -0.00004   0.00004   0.00000   2.90481
   D88        0.96183   0.00000  -0.00002   0.00004   0.00001   0.96185
   D89        3.02001   0.00000  -0.00002   0.00002   0.00000   3.02002
   D90       -1.11211   0.00000  -0.00004   0.00003  -0.00001  -1.11212
   D91        1.08658   0.00000  -0.00003  -0.00001  -0.00004   1.08654
   D92       -3.13498   0.00000  -0.00003   0.00000  -0.00003  -3.13501
   D93       -1.05277   0.00000  -0.00002  -0.00001  -0.00003  -1.05280
   D94       -0.94692   0.00000  -0.00003  -0.00001  -0.00004  -0.94695
   D95        1.11471   0.00000  -0.00002   0.00000  -0.00002   1.11469
   D96       -3.08627   0.00000  -0.00002   0.00000  -0.00002  -3.08629
   D97        3.05290   0.00000  -0.00004   0.00000  -0.00004   3.05287
   D98       -1.16865   0.00000  -0.00003   0.00001  -0.00002  -1.16867
   D99        0.91355   0.00000  -0.00003   0.00001  -0.00002   0.91353
   D100      -1.76095   0.00000  -0.00008  -0.00005  -0.00013  -1.76109
   D101       0.40822   0.00000  -0.00009  -0.00005  -0.00014   0.40808
   D102       2.49250   0.00000  -0.00009  -0.00006  -0.00015   2.49235
   D103       0.32799   0.00000  -0.00006  -0.00004  -0.00010   0.32789
   D104       2.49717   0.00000  -0.00007  -0.00004  -0.00011   2.49705
   D105      -1.70173   0.00000  -0.00007  -0.00005  -0.00012  -1.70186
   D106       2.49737   0.00000  -0.00010  -0.00006  -0.00016   2.49722
   D107      -1.61664   0.00000  -0.00010  -0.00006  -0.00017  -1.61681
   D108       0.46765   0.00000  -0.00011  -0.00007  -0.00018   0.46747
   D109      -2.63537   0.00000   0.00022   0.00004   0.00026  -2.63511
   D110       0.48573   0.00000   0.00024   0.00001   0.00025   0.48597
   D111       1.57156   0.00000   0.00026   0.00004   0.00029   1.57185
   D112      -1.59053   0.00000   0.00027   0.00001   0.00028  -1.59026
   D113      -0.50409   0.00000   0.00026   0.00004   0.00030  -0.50379
   D114       2.61700   0.00000   0.00027   0.00001   0.00029   2.61729
   D115       0.15854   0.00000   0.00005   0.00004   0.00009   0.15863
   D116      -2.00738   0.00000   0.00005   0.00004   0.00009  -2.00729
   D117       2.17068   0.00000   0.00006   0.00005   0.00011   2.17079
   D118      -1.94496   0.00000   0.00008   0.00003   0.00011  -1.94485
   D119       2.17230   0.00000   0.00007   0.00004   0.00011   2.17241
   D120       0.06717   0.00000   0.00009   0.00004   0.00013   0.06730
   D121       2.27755   0.00000   0.00008   0.00002   0.00010   2.27764
   D122       0.11162   0.00000   0.00007   0.00002   0.00010   0.11172
   D123      -1.99350   0.00000   0.00009   0.00003   0.00012  -1.99339
   D124       1.32550   0.00000   0.00003  -0.00003  -0.00001   1.32549
   D125      -0.80095   0.00000   0.00000  -0.00003  -0.00003  -0.80098
   D126      -2.95235   0.00000   0.00002  -0.00004  -0.00002  -2.95237
   D127      -2.80171   0.00000   0.00002  -0.00004  -0.00002  -2.80173
   D128       1.35502   0.00000  -0.00001  -0.00003  -0.00004   1.35497
   D129      -0.79638   0.00000   0.00002  -0.00004  -0.00003  -0.79641
   D130      -0.79427   0.00000   0.00002  -0.00004  -0.00002  -0.79429
   D131      -2.92072   0.00000  -0.00001  -0.00003  -0.00004  -2.92076
   D132       1.21106   0.00000   0.00001  -0.00004  -0.00003   1.21103
   D133       0.95185   0.00000   0.00009   0.00004   0.00013   0.95198
   D134       3.03321   0.00000   0.00010   0.00004   0.00013   3.03335
   D135      -1.14929   0.00000   0.00008   0.00003   0.00011  -1.14918
   D136       3.05402   0.00000   0.00009   0.00004   0.00014   3.05416
   D137      -1.14781   0.00000   0.00010   0.00004   0.00014  -1.14767
   D138       0.95288   0.00000   0.00008   0.00004   0.00012   0.95299
   D139      -1.12071   0.00000   0.00009   0.00004   0.00013  -1.12058
   D140       0.96065   0.00000   0.00009   0.00004   0.00013   0.96078
   D141       3.06134   0.00000   0.00007   0.00003   0.00011   3.06144
   D142       0.96779   0.00000   0.00011   0.00002   0.00013   0.96792
   D143      -2.19308   0.00000   0.00018   0.00009   0.00027  -2.19281
   D144      -1.15586   0.00000   0.00013   0.00002   0.00015  -1.15571
   D145       1.96646   0.00000   0.00021   0.00009   0.00029   1.96675
   D146       3.07785   0.00000   0.00010   0.00001   0.00011   3.07796
   D147      -0.08302   0.00000   0.00018   0.00008   0.00026  -0.08277
   D148      -0.88014   0.00000   0.00007   0.00001   0.00008  -0.88006
   D149       1.21511   0.00000   0.00007   0.00001   0.00008   1.21519
   D150      -2.97933   0.00000   0.00005   0.00001   0.00006  -2.97928
   D151       1.18865   0.00000   0.00004   0.00001   0.00005   1.18870
   D152      -2.99929   0.00000   0.00004   0.00001   0.00005  -2.99924
   D153      -0.91055   0.00000   0.00002   0.00001   0.00002  -0.91052
   D154      -2.98696   0.00000   0.00007   0.00002   0.00009  -2.98688
   D155      -0.89171   0.00000   0.00007   0.00002   0.00008  -0.89163
   D156       1.19703   0.00000   0.00004   0.00002   0.00006   1.19709
   D157       2.17119   0.00000  -0.00022  -0.00009  -0.00031   2.17088
   D158      -0.99047   0.00000  -0.00024  -0.00008  -0.00032  -0.99079
   D159       0.07887   0.00000  -0.00019  -0.00008  -0.00027   0.07860
   D160      -3.08279   0.00000  -0.00021  -0.00007  -0.00028  -3.08307
   D161      -1.97051   0.00000  -0.00023  -0.00010  -0.00033  -1.97084
   D162       1.15101   0.00000  -0.00025  -0.00009  -0.00034   1.15067
   D163       0.90928   0.00000   0.00005   0.00002   0.00008   0.90936
   D164      -1.21882   0.00000   0.00005   0.00003   0.00007  -1.21875
   D165       3.05550   0.00000   0.00004   0.00002   0.00006   3.05556
   D166       3.03494   0.00000   0.00005   0.00003   0.00007   3.03502
   D167       0.90684   0.00000   0.00004   0.00003   0.00007   0.90690
   D168      -1.10202   0.00000   0.00003   0.00002   0.00005  -1.10197
   D169      -1.23559   0.00000   0.00006   0.00003   0.00009  -1.23550
   D170       2.91949   0.00000   0.00005   0.00003   0.00008   2.91957
   D171       0.91063   0.00000   0.00004   0.00003   0.00007   0.91070
   D172      -0.96060   0.00000  -0.00012  -0.00002  -0.00015  -0.96075
   D173       2.20005   0.00000  -0.00020  -0.00009  -0.00029   2.19976
   D174       1.17703   0.00000  -0.00013  -0.00003  -0.00016   1.17687
   D175      -1.94550   0.00000  -0.00020  -0.00010  -0.00030  -1.94580
   D176      -3.09041   0.00000  -0.00011  -0.00002  -0.00013  -3.09054
   D177       0.07025   0.00000  -0.00018  -0.00009  -0.00027   0.06998
   D178       0.02758   0.00000   0.00007   0.00001   0.00008   0.02766
   D179      -3.12845   0.00000   0.00003  -0.00002   0.00001  -3.12844
   D180      -3.13443   0.00000   0.00015   0.00008   0.00023  -3.13420
   D181      -0.00728   0.00000   0.00010   0.00005   0.00016  -0.00712
   D182      -0.27289   0.00000  -0.00008  -0.00017  -0.00025  -0.27314
   D183      -2.32155   0.00000  -0.00007  -0.00016  -0.00023  -2.32178
   D184       1.84733   0.00000  -0.00009  -0.00016  -0.00025   1.84709
   D185       2.88891   0.00000  -0.00009  -0.00014  -0.00024   2.88867
   D186       0.84024   0.00000  -0.00008  -0.00013  -0.00021   0.84003
   D187      -1.27405   0.00000  -0.00010  -0.00013  -0.00023  -1.27428
   D188      -0.01848   0.00000  -0.00005   0.00000  -0.00005  -0.01853
   D189       3.12699   0.00000  -0.00003   0.00001  -0.00002   3.12697
   D190      -3.13892   0.00000  -0.00003  -0.00002  -0.00004  -3.13896
   D191       0.00655   0.00000  -0.00001   0.00000  -0.00001   0.00654
   D192      -3.10197   0.00000  -0.00030  -0.00011  -0.00041  -3.10238
   D193       0.03885   0.00000  -0.00031  -0.00009  -0.00040   0.03844
   D194       0.05298   0.00000  -0.00026  -0.00008  -0.00034   0.05263
   D195      -3.08939   0.00000  -0.00027  -0.00007  -0.00034  -3.08973
   D196       3.09708   0.00000   0.00029   0.00011   0.00040   3.09747
   D197      -0.04375   0.00000   0.00030   0.00009   0.00039  -0.04336
   D198      -0.04810   0.00000   0.00028   0.00009   0.00037  -0.04773
   D199       3.09426   0.00000   0.00028   0.00008   0.00036   3.09462
         Item               Value     Threshold  Converged?
 Maximum Force            0.000020     0.000450     YES
 RMS     Force            0.000002     0.000300     YES
 Maximum Displacement     0.002006     0.001800     NO 
 RMS     Displacement     0.000228     0.001200     YES
 Predicted change in Energy=-5.727681D-09
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C22H29FO5
 Framework group  C1[X(C22H29FO5)]
 Deg. of freedom   165
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          9           0        1.537314    0.051789   -1.390919
      2          8           0       -3.018629    0.240505   -1.811052
      3          8           0        0.337123   -2.204641    1.135872
      4          8           0       -4.876509   -0.146958    1.046008
      5          8           0       -5.559214   -2.441272   -0.207983
      6          8           0        6.484792   -0.156823   -1.400140
      7          6           0       -1.652791   -0.132852    0.207058
      8          6           0       -0.752677    1.122182   -0.013988
      9          6           0        0.627616    0.926580    0.625629
     10          6           0        1.330876   -0.276497   -0.066819
     11          6           0       -3.009836    0.397264   -0.384356
     12          6           0       -1.627481    2.298261    0.450129
     13          6           0       -1.027772   -1.311451   -0.551231
     14          6           0       -3.078294    1.893788    0.071120
     15          6           0        0.435075   -1.561866   -0.145345
     16          6           0        2.775804   -0.508378    0.512105
     17          6           0        1.470092    2.207888    0.525627
     18          6           0       -1.859919   -0.496686    1.678583
     19          6           0        2.895958    1.999910    1.047085
     20          6           0        3.544687    0.810469    0.397259
     21          6           0       -4.240055   -0.413643    0.052233
     22          6           0       -3.693194    2.802208   -0.984356
     23          6           0        2.765566   -0.900011    2.001196
     24          6           0        3.452369   -1.637974   -0.243601
     25          6           0        4.730777    0.905780   -0.220343
     26          6           0       -4.638733   -1.565153   -0.852661
     27          6           0        4.630592   -1.522561   -0.858242
     28          6           0        5.393000   -0.241234   -0.877467
     29          1           0       -0.602377    1.253789   -1.118075
     30          1           0        0.501280    0.657480    1.706056
     31          1           0       -1.543170    2.463421    1.537642
     32          1           0       -1.325142    3.243956   -0.026582
     33          1           0       -1.096231   -1.146545   -1.645946
     34          1           0       -1.601815   -2.241227   -0.348203
     35          1           0       -3.717629    1.934212    0.991583
     36          1           0        0.895565   -2.289473   -0.857972
     37          1           0        0.981233    3.019448    1.099345
     38          1           0        1.507641    2.565952   -0.523523
     39          1           0       -2.309183    0.314729    2.259313
     40          1           0       -2.504943   -1.377470    1.793824
     41          1           0       -0.905916   -0.770281    2.157169
     42          1           0        2.891350    1.865056    2.149680
     43          1           0        3.490101    2.921975    0.873036
     44          1           0       -4.682492    2.438728   -1.294356
     45          1           0       -3.828911    3.820206   -0.598222
     46          1           0       -3.077602    2.876663   -1.887906
     47          1           0        2.156456   -0.211621    2.601649
     48          1           0        2.358531   -1.908730    2.166791
     49          1           0        3.783472   -0.893051    2.414711
     50          1           0       -2.476052    0.939443   -2.238627
     51          1           0        2.913183   -2.586959   -0.240515
     52          1           0        1.191467   -2.627562    1.386314
     53          1           0        5.283141    1.844496   -0.290825
     54          1           0       -3.781431   -2.212017   -1.126815
     55          1           0       -5.096419   -1.178363   -1.788607
     56          1           0        5.109563   -2.349041   -1.386311
     57          1           0       -6.119961   -1.935954    0.434316
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.4207937      0.1032141      0.0948053
 Standard basis: VSTO-6G (5D, 7F)
 There are   141 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   141 basis functions,   846 primitive gaussians,   141 cartesian basis functions
    77 alpha electrons       77 beta electrons
       nuclear repulsion energy      1659.8889648187 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   141 RedAO= F  NBF=   141
 NBsUse=   141 1.00D-04 NBFU=   141
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=982442.
 SCF Done:  E(RPM6) = -0.418005420851     A.U. after    9 cycles
             Convg  =    0.4643D-08             -V/T =  0.9987
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        9          -0.000000236    0.000000570   -0.000001512
      2        8          -0.000000666    0.000000224   -0.000002480
      3        8           0.000010990    0.000005001   -0.000003929
      4        8          -0.000000938   -0.000000217   -0.000001128
      5        8          -0.000010466   -0.000009617   -0.000011143
      6        8          -0.000001393   -0.000000365    0.000000822
      7        6           0.000001373   -0.000001788   -0.000002861
      8        6          -0.000002482    0.000001734    0.000001453
      9        6           0.000001401   -0.000000629    0.000003039
     10        6          -0.000000033   -0.000000300    0.000003983
     11        6          -0.000000052   -0.000001898    0.000004008
     12        6          -0.000001888    0.000001356   -0.000007562
     13        6          -0.000003084   -0.000000877    0.000000120
     14        6           0.000002676    0.000003939    0.000002648
     15        6           0.000003723    0.000002617    0.000000290
     16        6           0.000001496    0.000000426   -0.000002681
     17        6          -0.000001607    0.000000778    0.000000007
     18        6           0.000001336   -0.000000882    0.000000252
     19        6           0.000000926   -0.000001465   -0.000002836
     20        6          -0.000001209    0.000000304    0.000002111
     21        6           0.000000151    0.000001931    0.000001828
     22        6          -0.000004214    0.000000352   -0.000001114
     23        6          -0.000000649    0.000000834    0.000000501
     24        6          -0.000000408    0.000000013    0.000000872
     25        6          -0.000001593   -0.000000340    0.000000506
     26        6           0.000003111   -0.000002436   -0.000001317
     27        6          -0.000001660    0.000000099    0.000000198
     28        6           0.000002573    0.000000644   -0.000000932
     29        1           0.000001167   -0.000000547   -0.000001412
     30        1          -0.000001257    0.000000549   -0.000001750
     31        1          -0.000000409    0.000001421    0.000003008
     32        1           0.000001300   -0.000002630    0.000003160
     33        1           0.000000135   -0.000000146    0.000001266
     34        1          -0.000000023    0.000000112    0.000000301
     35        1          -0.000001155   -0.000000567   -0.000001883
     36        1          -0.000000757   -0.000001562   -0.000001106
     37        1           0.000000501   -0.000000253    0.000000019
     38        1           0.000000267   -0.000000299    0.000000310
     39        1          -0.000000911    0.000000124   -0.000000320
     40        1           0.000000001    0.000000468   -0.000000387
     41        1           0.000000136   -0.000000094    0.000000325
     42        1          -0.000000471   -0.000000264    0.000001266
     43        1          -0.000000332    0.000000547   -0.000000431
     44        1           0.000000743   -0.000001468   -0.000001222
     45        1          -0.000000313    0.000000013    0.000000426
     46        1           0.000003038    0.000000583    0.000001470
     47        1           0.000000152   -0.000000356   -0.000000114
     48        1           0.000000335   -0.000000189   -0.000000051
     49        1          -0.000000046   -0.000000249   -0.000000127
     50        1           0.000000204    0.000000061    0.000000804
     51        1           0.000000719   -0.000000194   -0.000000496
     52        1          -0.000011210   -0.000004693    0.000003078
     53        1           0.000000986    0.000000356   -0.000000459
     54        1          -0.000001559   -0.000000333    0.000000350
     55        1           0.000000369   -0.000000277   -0.000000055
     56        1           0.000000799    0.000000091    0.000000005
     57        1           0.000010410    0.000009791    0.000010883
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000011210 RMS     0.000002805

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.000017962 RMS     0.000001301
 Search for a local minimum.
 Step number  34 out of a maximum of  342
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   19   20   21   22   23
                                                     24   25   26   27   28
                                                     29   30   31   32   33
                                                     34
 DE= -8.63D-09 DEPred=-5.73D-09 R= 1.51D+00
 Trust test= 1.51D+00 RLast= 2.25D-03 DXMaxT set to 1.86D+00
     Eigenvalues ---    0.00067   0.00105   0.00153   0.00185   0.00203
     Eigenvalues ---    0.00253   0.00285   0.00406   0.00478   0.00509
     Eigenvalues ---    0.00544   0.00613   0.00696   0.00821   0.01072
     Eigenvalues ---    0.01419   0.01450   0.01584   0.01690   0.01774
     Eigenvalues ---    0.02089   0.02219   0.02343   0.02391   0.02606
     Eigenvalues ---    0.03058   0.03406   0.03749   0.03818   0.03932
     Eigenvalues ---    0.04131   0.04148   0.04292   0.04438   0.04585
     Eigenvalues ---    0.04716   0.04765   0.04865   0.04936   0.05023
     Eigenvalues ---    0.05122   0.05169   0.05259   0.05299   0.05342
     Eigenvalues ---    0.05385   0.05434   0.05527   0.05548   0.05652
     Eigenvalues ---    0.05800   0.05957   0.06144   0.06286   0.06815
     Eigenvalues ---    0.06922   0.07031   0.07069   0.07153   0.07393
     Eigenvalues ---    0.07772   0.08046   0.08134   0.08327   0.08340
     Eigenvalues ---    0.08390   0.09079   0.09269   0.09409   0.10627
     Eigenvalues ---    0.11265   0.11791   0.12013   0.12894   0.13350
     Eigenvalues ---    0.13774   0.14339   0.14996   0.15076   0.15471
     Eigenvalues ---    0.15817   0.15870   0.15958   0.15997   0.16007
     Eigenvalues ---    0.16016   0.16022   0.16063   0.16073   0.16080
     Eigenvalues ---    0.16212   0.16441   0.16925   0.17173   0.17805
     Eigenvalues ---    0.18967   0.19426   0.19731   0.20248   0.21056
     Eigenvalues ---    0.21423   0.22348   0.22942   0.23389   0.24100
     Eigenvalues ---    0.24921   0.25199   0.25395   0.25727   0.26578
     Eigenvalues ---    0.26694   0.27784   0.27869   0.28015   0.28510
     Eigenvalues ---    0.29180   0.29778   0.29976   0.30776   0.31471
     Eigenvalues ---    0.31593   0.32271   0.32313   0.32542   0.33548
     Eigenvalues ---    0.33597   0.33839   0.33910   0.33953   0.33984
     Eigenvalues ---    0.34059   0.34084   0.34114   0.34128   0.34194
     Eigenvalues ---    0.34220   0.34244   0.34266   0.34318   0.34350
     Eigenvalues ---    0.34364   0.34394   0.34443   0.34555   0.34650
     Eigenvalues ---    0.34752   0.35086   0.35148   0.35421   0.35538
     Eigenvalues ---    0.35893   0.38156   0.40177   0.42310   0.43995
     Eigenvalues ---    0.45868   0.48445   0.48730   0.51423   0.53609
     Eigenvalues ---    0.53902   0.57832   0.58475   0.89708   0.92476
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    34   33   32   31   30
 RFO step:  Lambda= 0.00000000D+00.
 DIIS coeffs:      1.36805     -0.26955     -0.25878      0.17478     -0.01449
 Iteration  1 RMS(Cart)=  0.00009953 RMS(Int)=  0.00000001
 Iteration  2 RMS(Cart)=  0.00000001 RMS(Int)=  0.00000000
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.60729   0.00000   0.00000   0.00000  -0.00001   2.60729
    R2        2.71234   0.00000  -0.00001   0.00000  -0.00001   2.71233
    R3        1.85706   0.00000   0.00000   0.00000   0.00000   1.85706
    R4        2.71508   0.00000  -0.00001   0.00001   0.00000   2.71508
    R5        1.86259  -0.00001  -0.00001  -0.00002  -0.00002   1.86257
    R6        2.28632   0.00000   0.00000   0.00000   0.00000   2.28632
    R7        2.69276   0.00000   0.00001   0.00000   0.00001   2.69277
    R8        1.87296  -0.00002  -0.00002  -0.00003  -0.00005   1.87291
    R9        2.29298   0.00000   0.00000   0.00000   0.00000   2.29298
   R10        2.94832   0.00000   0.00000  -0.00001  -0.00001   2.94831
   R11        2.97136   0.00000   0.00001   0.00000   0.00001   2.97137
   R12        2.89982   0.00000   0.00000   0.00000   0.00000   2.89982
   R13        2.89113   0.00000   0.00000   0.00000   0.00000   2.89114
   R14        2.89848   0.00000   0.00000   0.00000   0.00000   2.89848
   R15        2.90542   0.00000   0.00000   0.00000   0.00000   2.90541
   R16        2.12030   0.00000   0.00000   0.00000   0.00000   2.12030
   R17        2.94061   0.00000   0.00000   0.00001   0.00001   2.94061
   R18        2.90399   0.00000  -0.00001   0.00001   0.00000   2.90399
   R19        2.11759   0.00000   0.00001   0.00000   0.00001   2.11760
   R20        2.96440   0.00000   0.00000   0.00000  -0.00001   2.96439
   R21        2.97399   0.00000   0.00001   0.00000   0.00001   2.97400
   R22        2.95893   0.00000  -0.00001   0.00000  -0.00001   2.95892
   R23        2.90405   0.00000   0.00001   0.00000   0.00001   2.90405
   R24        2.93492   0.00000   0.00000   0.00000   0.00000   2.93492
   R25        2.08476   0.00000   0.00000  -0.00001  -0.00001   2.08476
   R26        2.08127   0.00000   0.00000   0.00001   0.00001   2.08128
   R27        2.90758   0.00000   0.00000   0.00001   0.00001   2.90760
   R28        2.09605   0.00000   0.00000   0.00000   0.00000   2.09605
   R29        2.10026   0.00000   0.00000   0.00000   0.00000   2.10026
   R30        2.87671   0.00000   0.00000   0.00000   0.00001   2.87671
   R31        2.11922   0.00000   0.00001   0.00000   0.00001   2.11923
   R32        2.11219   0.00000   0.00000   0.00000  -0.00001   2.11218
   R33        2.89303   0.00000   0.00000   0.00000   0.00000   2.89302
   R34        2.90973   0.00000   0.00000   0.00000   0.00000   2.90973
   R35        2.86891   0.00000   0.00000   0.00000  -0.00001   2.86891
   R36        2.89583   0.00000   0.00000   0.00000   0.00000   2.89583
   R37        2.09305   0.00000   0.00000   0.00000   0.00000   2.09305
   R38        2.09609   0.00000   0.00000   0.00000   0.00000   2.09609
   R39        2.06792   0.00000   0.00000   0.00000   0.00000   2.06792
   R40        2.07450   0.00000   0.00000   0.00000   0.00000   2.07450
   R41        2.08215   0.00000   0.00000   0.00000   0.00000   2.08215
   R42        2.83956   0.00000   0.00000   0.00001   0.00000   2.83956
   R43        2.09915   0.00000  -0.00001   0.00000  -0.00001   2.09914
   R44        2.09879   0.00000   0.00000   0.00000   0.00000   2.09879
   R45        2.53345   0.00000   0.00000   0.00000   0.00000   2.53345
   R46        2.86825   0.00000  -0.00001   0.00000  -0.00001   2.86824
   R47        2.07606   0.00000   0.00000   0.00000  -0.00001   2.07605
   R48        2.07340   0.00000   0.00000   0.00000   0.00000   2.07340
   R49        2.07087   0.00000   0.00001   0.00000   0.00001   2.07088
   R50        2.07478   0.00000   0.00000   0.00000   0.00000   2.07478
   R51        2.07923   0.00000   0.00000   0.00000   0.00000   2.07923
   R52        2.07627   0.00000   0.00000   0.00000   0.00000   2.07627
   R53        2.52072   0.00000   0.00000   0.00000   0.00000   2.52072
   R54        2.06258   0.00000   0.00000   0.00000   0.00000   2.06258
   R55        2.79398   0.00000   0.00000   0.00000   0.00000   2.79398
   R56        2.06254   0.00000   0.00000   0.00000   0.00000   2.06254
   R57        2.09458   0.00000   0.00000   0.00000  -0.00001   2.09458
   R58        2.10013   0.00000   0.00000   0.00000   0.00000   2.10013
   R59        2.81781   0.00000   0.00000   0.00000   0.00000   2.81781
   R60        2.06261   0.00000   0.00000   0.00000   0.00000   2.06261
    A1        1.92989   0.00000   0.00002   0.00000   0.00001   1.92990
    A2        1.93848   0.00000  -0.00001   0.00002   0.00001   1.93849
    A3        1.92324   0.00000   0.00001   0.00000   0.00001   1.92324
    A4        1.74510   0.00000   0.00000   0.00000   0.00000   1.74511
    A5        1.88898   0.00000   0.00000   0.00000   0.00000   1.88897
    A6        1.98852   0.00000   0.00000  -0.00001   0.00000   1.98851
    A7        2.00932   0.00000   0.00000   0.00000   0.00000   2.00932
    A8        1.90192   0.00000  -0.00001   0.00001   0.00000   1.90192
    A9        1.92600   0.00000   0.00000   0.00000   0.00000   1.92600
   A10        1.93640   0.00000   0.00000  -0.00001  -0.00001   1.93640
   A11        1.81759   0.00000   0.00000   0.00000   0.00000   1.81759
   A12        1.88710   0.00000   0.00001   0.00001   0.00002   1.88711
   A13        2.07568   0.00000   0.00000   0.00000   0.00000   2.07567
   A14        1.88048   0.00000  -0.00001   0.00000  -0.00001   1.88047
   A15        1.85828   0.00000   0.00000   0.00000   0.00001   1.85829
   A16        1.89624   0.00000   0.00000   0.00000   0.00000   1.89625
   A17        1.93895   0.00000   0.00001   0.00000   0.00001   1.93895
   A18        1.90841   0.00000   0.00000  -0.00002  -0.00002   1.90839
   A19        1.94756   0.00000   0.00000   0.00001   0.00001   1.94757
   A20        1.86955   0.00000  -0.00001   0.00000  -0.00001   1.86955
   A21        1.90158   0.00000   0.00000   0.00000   0.00000   1.90158
   A22        1.88674   0.00000   0.00000   0.00001   0.00001   1.88675
   A23        1.80530   0.00000   0.00001   0.00000   0.00000   1.80531
   A24        1.82421   0.00000   0.00001   0.00000   0.00000   1.82422
   A25        1.97980   0.00000   0.00000   0.00000   0.00000   1.97979
   A26        1.94460   0.00000   0.00000   0.00000   0.00000   1.94460
   A27        2.00643   0.00000   0.00000   0.00000   0.00000   2.00643
   A28        1.92020   0.00000   0.00000   0.00000   0.00001   1.92020
   A29        1.97497   0.00000   0.00002   0.00000   0.00002   1.97499
   A30        1.79246   0.00000   0.00000   0.00000   0.00000   1.79246
   A31        1.82404   0.00000   0.00000   0.00000   0.00000   1.82405
   A32        1.98902   0.00000  -0.00003   0.00000  -0.00003   1.98900
   A33        1.96783   0.00000   0.00000   0.00000   0.00000   1.96784
   A34        1.83240   0.00000   0.00000   0.00000  -0.00001   1.83240
   A35        1.94831   0.00000   0.00000   0.00000   0.00000   1.94831
   A36        1.94977   0.00000   0.00000   0.00000  -0.00001   1.94977
   A37        1.92937   0.00000  -0.00001   0.00000   0.00000   1.92937
   A38        1.95458   0.00000   0.00000   0.00000   0.00000   1.95457
   A39        1.85162   0.00000   0.00001   0.00000   0.00002   1.85164
   A40        1.96264   0.00000   0.00000   0.00000  -0.00001   1.96263
   A41        1.92664   0.00000   0.00000   0.00000   0.00000   1.92664
   A42        1.91973   0.00000   0.00001   0.00000   0.00001   1.91973
   A43        1.92115   0.00000   0.00000   0.00000   0.00000   1.92115
   A44        1.88254   0.00000   0.00000   0.00000   0.00000   1.88254
   A45        1.84709   0.00000   0.00000   0.00000   0.00000   1.84709
   A46        1.85360   0.00000   0.00001   0.00000   0.00000   1.85361
   A47        1.96743   0.00000   0.00000   0.00000   0.00000   1.96743
   A48        1.87353   0.00000   0.00000   0.00001   0.00001   1.87354
   A49        1.97264   0.00000  -0.00001   0.00000  -0.00001   1.97264
   A50        1.89955   0.00000   0.00000   0.00000  -0.00001   1.89955
   A51        1.89368   0.00000  -0.00001   0.00000   0.00000   1.89367
   A52        1.94000   0.00000   0.00001   0.00000   0.00001   1.94001
   A53        1.81649   0.00000  -0.00001   0.00001   0.00000   1.81649
   A54        1.88116   0.00000   0.00000   0.00000   0.00001   1.88117
   A55        2.00730   0.00000  -0.00001  -0.00001  -0.00002   2.00728
   A56        1.90715   0.00000   0.00000   0.00000   0.00000   1.90715
   A57        1.90652   0.00000   0.00000   0.00000   0.00000   1.90653
   A58        1.88241   0.00000  -0.00002  -0.00001  -0.00002   1.88238
   A59        1.96831   0.00000  -0.00001   0.00001   0.00000   1.96830
   A60        1.91313   0.00000   0.00000   0.00000   0.00000   1.91313
   A61        1.87025   0.00000   0.00001   0.00000   0.00002   1.87027
   A62        1.96040   0.00000   0.00000   0.00000   0.00000   1.96040
   A63        1.87037   0.00000   0.00001   0.00000   0.00001   1.87038
   A64        1.95499   0.00000  -0.00001   0.00000  -0.00001   1.95498
   A65        1.91268   0.00000   0.00000   0.00001   0.00001   1.91268
   A66        1.92758   0.00000   0.00000   0.00001   0.00000   1.92759
   A67        1.91120   0.00000   0.00000   0.00000   0.00000   1.91120
   A68        1.91153   0.00000   0.00000  -0.00001   0.00000   1.91153
   A69        1.84248   0.00000   0.00000   0.00000   0.00000   1.84248
   A70        1.97108   0.00000   0.00000   0.00000   0.00001   1.97109
   A71        1.95123   0.00000   0.00000   0.00000   0.00000   1.95123
   A72        1.93864   0.00000  -0.00001   0.00000  -0.00001   1.93864
   A73        1.87338   0.00000  -0.00001   0.00000  -0.00001   1.87338
   A74        1.88503   0.00000   0.00001   0.00000   0.00001   1.88504
   A75        1.83788   0.00000   0.00000   0.00000   0.00000   1.83787
   A76        1.94119   0.00000  -0.00003  -0.00001  -0.00003   1.94116
   A77        1.92878   0.00000   0.00000   0.00000   0.00000   1.92878
   A78        1.90897   0.00000   0.00001   0.00000   0.00001   1.90897
   A79        1.91235   0.00000   0.00001   0.00001   0.00002   1.91237
   A80        1.93740   0.00000   0.00000   0.00000   0.00001   1.93741
   A81        1.83233   0.00000   0.00000   0.00000   0.00000   1.83233
   A82        2.01822   0.00000  -0.00001   0.00000  -0.00001   2.01821
   A83        2.14140   0.00000   0.00000   0.00000   0.00000   2.14140
   A84        2.12340   0.00000   0.00000   0.00000   0.00001   2.12341
   A85        2.13905   0.00000   0.00000   0.00000   0.00000   2.13906
   A86        2.11619   0.00000   0.00001   0.00000   0.00001   2.11620
   A87        2.02776   0.00000  -0.00001   0.00000  -0.00002   2.02774
   A88        1.94116   0.00000   0.00000   0.00000   0.00000   1.94116
   A89        1.93866   0.00000   0.00000   0.00000   0.00000   1.93867
   A90        1.96635   0.00000  -0.00001  -0.00001  -0.00002   1.96633
   A91        1.87014   0.00000   0.00000   0.00000  -0.00001   1.87013
   A92        1.87096   0.00000   0.00002   0.00000   0.00002   1.87098
   A93        1.87194   0.00000   0.00000   0.00000   0.00000   1.87194
   A94        1.95316   0.00000  -0.00001   0.00000   0.00000   1.95316
   A95        1.96188   0.00000   0.00000   0.00000   0.00000   1.96188
   A96        1.93500   0.00000   0.00000   0.00000   0.00000   1.93500
   A97        1.86217   0.00000   0.00001   0.00000   0.00001   1.86218
   A98        1.87987   0.00000   0.00001  -0.00001   0.00000   1.87987
   A99        1.86700   0.00000  -0.00001   0.00000  -0.00001   1.86699
   A100       2.16352   0.00000   0.00000   0.00000   0.00000   2.16352
   A101       2.01016   0.00000   0.00000   0.00000   0.00000   2.01016
   A102       2.10932   0.00000   0.00000   0.00000   0.00000   2.10932
   A103       2.14821   0.00000   0.00000   0.00000   0.00000   2.14821
   A104       2.13961   0.00000   0.00001   0.00000   0.00001   2.13962
   A105       1.99528   0.00000   0.00000   0.00000  -0.00001   1.99528
   A106       1.94594   0.00000   0.00001  -0.00001   0.00000   1.94594
   A107       1.82628   0.00000   0.00000  -0.00001  -0.00001   1.82627
   A108       1.90601   0.00000  -0.00001   0.00002   0.00000   1.90602
   A109       1.96823   0.00000   0.00001   0.00001   0.00001   1.96825
   A110       1.92434   0.00000   0.00000  -0.00001  -0.00001   1.92433
   A111       1.88951   0.00000   0.00000   0.00000   0.00000   1.88951
   A112       2.13166   0.00000   0.00000   0.00000   0.00000   2.13166
   A113       2.14721   0.00000   0.00000   0.00000   0.00000   2.14722
   A114       2.00431   0.00000   0.00000   0.00000  -0.00001   2.00431
   A115       2.14182   0.00000   0.00000   0.00000   0.00000   2.14182
   A116       2.12397   0.00000   0.00000   0.00000   0.00000   2.12397
   A117       2.01739   0.00000   0.00000   0.00000   0.00000   2.01740
    D1       -1.34915   0.00000  -0.00016   0.00008  -0.00009  -1.34924
    D2        0.68379   0.00000  -0.00015   0.00008  -0.00007   0.68373
    D3        2.81027   0.00000  -0.00013   0.00007  -0.00006   2.81021
    D4       -1.23615   0.00000   0.00002   0.00000   0.00002  -1.23613
    D5        2.87655   0.00000   0.00003   0.00001   0.00004   2.87659
    D6        0.85335   0.00000   0.00004   0.00000   0.00004   0.85339
    D7        0.53547   0.00000  -0.00013   0.00019   0.00006   0.53554
    D8        2.66817   0.00000  -0.00012   0.00019   0.00007   2.66825
    D9       -1.59536   0.00000  -0.00012   0.00020   0.00007  -1.59529
   D10        3.03477   0.00000  -0.00001   0.00000  -0.00001   3.03476
   D11        0.78170   0.00000  -0.00001   0.00001   0.00000   0.78170
   D12       -1.18985   0.00000  -0.00001   0.00000  -0.00001  -1.18987
   D13       -1.14019   0.00000   0.00000   0.00000  -0.00001  -1.14020
   D14        2.88992   0.00000   0.00000   0.00001   0.00000   2.88992
   D15        0.91837   0.00000  -0.00001   0.00000  -0.00001   0.91835
   D16        1.00914   0.00000   0.00000  -0.00001  -0.00001   1.00913
   D17       -1.24394   0.00000   0.00000   0.00000   0.00000  -1.24394
   D18        3.06770   0.00000  -0.00001  -0.00001  -0.00001   3.06768
   D19        1.45293   0.00000   0.00006   0.00000   0.00006   1.45299
   D20       -0.67250   0.00000   0.00003   0.00000   0.00003  -0.67247
   D21       -2.82821   0.00000   0.00004   0.00000   0.00004  -2.82817
   D22       -0.56616   0.00000   0.00006   0.00000   0.00006  -0.56610
   D23       -2.69160   0.00000   0.00003   0.00000   0.00004  -2.69156
   D24        1.43588   0.00000   0.00004   0.00000   0.00005   1.43592
   D25       -2.74033   0.00000   0.00006   0.00000   0.00006  -2.74027
   D26        1.41742   0.00000   0.00004   0.00000   0.00003   1.41745
   D27       -0.73829   0.00000   0.00004   0.00000   0.00004  -0.73825
   D28        0.96522   0.00000   0.00002   0.00002   0.00003   0.96525
   D29       -1.18768   0.00000   0.00002   0.00001   0.00004  -1.18764
   D30        3.06364   0.00000   0.00001   0.00002   0.00003   3.06367
   D31        2.90015   0.00000   0.00002   0.00001   0.00003   2.90018
   D32        0.74725   0.00000   0.00003   0.00001   0.00004   0.74729
   D33       -1.28461   0.00000   0.00002   0.00001   0.00003  -1.28458
   D34       -1.22153   0.00000   0.00001   0.00003   0.00004  -1.22149
   D35        2.90876   0.00000   0.00002   0.00002   0.00004   2.90880
   D36        0.87690   0.00000   0.00001   0.00003   0.00004   0.87693
   D37        1.01727   0.00000   0.00017   0.00006   0.00023   1.01750
   D38        3.13222   0.00000   0.00016   0.00006   0.00022   3.13244
   D39       -1.10359   0.00000   0.00015   0.00006   0.00021  -1.10338
   D40       -0.91454   0.00000   0.00017   0.00006   0.00022  -0.91432
   D41        1.20041   0.00000   0.00016   0.00006   0.00022   1.20063
   D42       -3.03540   0.00000   0.00015   0.00006   0.00021  -3.03519
   D43       -3.13688   0.00000   0.00017   0.00005   0.00022  -3.13666
   D44       -1.02193   0.00000   0.00016   0.00006   0.00022  -1.02171
   D45        1.02545   0.00000   0.00015   0.00005   0.00021   1.02565
   D46        1.08591   0.00000   0.00000   0.00000   0.00000   1.08591
   D47       -3.04848   0.00000   0.00001   0.00002   0.00003  -3.04846
   D48       -0.94906   0.00000   0.00001   0.00001   0.00002  -0.94904
   D49       -3.09078   0.00000   0.00000  -0.00001  -0.00001  -3.09079
   D50       -0.94199   0.00000   0.00001   0.00001   0.00001  -0.94197
   D51        1.15744   0.00000   0.00001   0.00000   0.00001   1.15744
   D52       -0.97666   0.00000   0.00000  -0.00001  -0.00001  -0.97667
   D53        1.17213   0.00000   0.00001   0.00001   0.00002   1.17214
   D54       -3.01164   0.00000   0.00001   0.00000   0.00001  -3.01163
   D55       -0.59251   0.00000  -0.00002  -0.00002  -0.00004  -0.59255
   D56        1.49841   0.00000  -0.00003  -0.00001  -0.00005   1.49836
   D57       -2.71467   0.00000  -0.00002  -0.00001  -0.00003  -2.71470
   D58       -2.75827   0.00000  -0.00002   0.00000  -0.00003  -2.75830
   D59       -0.66735   0.00000  -0.00003   0.00000  -0.00003  -0.66738
   D60        1.40276   0.00000  -0.00002   0.00000  -0.00002   1.40275
   D61        1.39963   0.00000  -0.00001  -0.00001  -0.00002   1.39961
   D62       -2.79264   0.00000  -0.00002   0.00000  -0.00003  -2.79266
   D63       -0.72253   0.00000  -0.00001   0.00000  -0.00001  -0.72253
   D64        1.11647   0.00000   0.00000  -0.00001  -0.00001   1.11646
   D65       -0.87474   0.00000  -0.00001  -0.00001  -0.00002  -0.87475
   D66        3.11143   0.00000   0.00001  -0.00001   0.00000   3.11142
   D67       -1.02714   0.00000  -0.00001  -0.00002  -0.00003  -1.02717
   D68       -3.01834   0.00000  -0.00002  -0.00002  -0.00004  -3.01838
   D69        0.96782   0.00000   0.00000  -0.00002  -0.00002   0.96780
   D70       -3.10695   0.00000   0.00000  -0.00003  -0.00003  -3.10699
   D71        1.18503   0.00000  -0.00001  -0.00003  -0.00004   1.18499
   D72       -1.11200   0.00000   0.00000  -0.00003  -0.00003  -1.11202
   D73       -3.05401   0.00000  -0.00002   0.00001  -0.00001  -3.05402
   D74        1.10437   0.00000  -0.00001   0.00001  -0.00001   1.10436
   D75       -0.91827   0.00000  -0.00002   0.00000  -0.00001  -0.91828
   D76       -0.93500   0.00000  -0.00001   0.00002   0.00001  -0.93499
   D77       -3.05981   0.00000  -0.00001   0.00002   0.00001  -3.05980
   D78        1.20074   0.00000  -0.00001   0.00002   0.00000   1.20075
   D79        1.12571   0.00000  -0.00002   0.00002   0.00001   1.12572
   D80       -0.99910   0.00000  -0.00002   0.00003   0.00001  -0.99909
   D81       -3.02173   0.00000  -0.00002   0.00002   0.00000  -3.02173
   D82        2.93928   0.00000   0.00002   0.00000   0.00003   2.93931
   D83       -1.28574   0.00000   0.00001   0.00001   0.00002  -1.28572
   D84        0.86532   0.00000   0.00001   0.00000   0.00001   0.86533
   D85       -1.30441   0.00000   0.00003   0.00001   0.00004  -1.30437
   D86        0.75376   0.00000   0.00002   0.00001   0.00003   0.75379
   D87        2.90481   0.00000   0.00001   0.00001   0.00002   2.90483
   D88        0.96185   0.00000   0.00001   0.00001   0.00002   0.96187
   D89        3.02002   0.00000   0.00000   0.00001   0.00001   3.02003
   D90       -1.11212   0.00000   0.00000   0.00001   0.00001  -1.11211
   D91        1.08654   0.00000  -0.00001   0.00001   0.00000   1.08653
   D92       -3.13501   0.00000  -0.00001   0.00001   0.00000  -3.13500
   D93       -1.05280   0.00000  -0.00001   0.00001   0.00001  -1.05279
   D94       -0.94695   0.00000  -0.00001   0.00000  -0.00001  -0.94696
   D95        1.11469   0.00000  -0.00001   0.00000  -0.00001   1.11469
   D96       -3.08629   0.00000  -0.00001   0.00001   0.00000  -3.08629
   D97        3.05287   0.00000   0.00000   0.00000   0.00001   3.05287
   D98       -1.16867   0.00000   0.00000   0.00001   0.00001  -1.16867
   D99        0.91353   0.00000   0.00000   0.00001   0.00001   0.91354
   D100      -1.76109   0.00000  -0.00006  -0.00001  -0.00008  -1.76116
   D101       0.40808   0.00000  -0.00006  -0.00002  -0.00008   0.40800
   D102       2.49235   0.00000  -0.00007  -0.00001  -0.00008   2.49228
   D103       0.32789   0.00000  -0.00005  -0.00001  -0.00006   0.32783
   D104       2.49705   0.00000  -0.00005  -0.00001  -0.00006   2.49699
   D105      -1.70186   0.00000  -0.00005  -0.00001  -0.00006  -1.70191
   D106       2.49722   0.00000  -0.00008  -0.00001  -0.00009   2.49713
   D107      -1.61681   0.00000  -0.00008  -0.00001  -0.00009  -1.61690
   D108       0.46747   0.00000  -0.00008  -0.00001  -0.00009   0.46738
   D109      -2.63511   0.00000   0.00007  -0.00004   0.00004  -2.63507
   D110       0.48597   0.00000   0.00007  -0.00004   0.00003   0.48601
   D111       1.57185   0.00000   0.00008  -0.00004   0.00004   1.57189
   D112      -1.59026   0.00000   0.00008  -0.00004   0.00004  -1.59022
   D113      -0.50379   0.00000   0.00010  -0.00004   0.00006  -0.50373
   D114       2.61729   0.00000   0.00009  -0.00004   0.00005   2.61734
   D115       0.15863   0.00000   0.00004   0.00002   0.00006   0.15869
   D116      -2.00729   0.00000   0.00004   0.00002   0.00005  -2.00724
   D117       2.17079   0.00000   0.00005   0.00002   0.00007   2.17086
   D118      -1.94485   0.00000   0.00005   0.00001   0.00006  -1.94479
   D119       2.17241   0.00000   0.00005   0.00002   0.00006   2.17247
   D120       0.06730   0.00000   0.00006   0.00002   0.00008   0.06738
   D121       2.27764   0.00000   0.00004   0.00001   0.00005   2.27769
   D122       0.11172   0.00000   0.00003   0.00001   0.00004   0.11176
   D123      -1.99339   0.00000   0.00004   0.00001   0.00006  -1.99333
   D124       1.32549   0.00000  -0.00002  -0.00002  -0.00004   1.32546
   D125      -0.80098   0.00000  -0.00002  -0.00002  -0.00004  -0.80102
   D126      -2.95237   0.00000  -0.00002  -0.00001  -0.00003  -2.95240
   D127      -2.80173   0.00000  -0.00002  -0.00002  -0.00004  -2.80178
   D128       1.35497   0.00000  -0.00003  -0.00001  -0.00004   1.35493
   D129      -0.79641   0.00000  -0.00003  -0.00001  -0.00003  -0.79645
   D130      -0.79429   0.00000  -0.00003  -0.00002  -0.00004  -0.79433
   D131      -2.92076   0.00000  -0.00003  -0.00001  -0.00004  -2.92081
   D132       1.21103   0.00000  -0.00003  -0.00001  -0.00003   1.21100
   D133       0.95198   0.00000   0.00005   0.00004   0.00010   0.95208
   D134       3.03335   0.00000   0.00005   0.00004   0.00009   3.03344
   D135      -1.14918   0.00000   0.00004   0.00005   0.00008  -1.14910
   D136       3.05416   0.00000   0.00006   0.00004   0.00010   3.05425
   D137      -1.14767   0.00000   0.00006   0.00004   0.00010  -1.14757
   D138       0.95299   0.00000   0.00004   0.00004   0.00008   0.95308
   D139      -1.12058   0.00000   0.00005   0.00004   0.00008  -1.12050
   D140       0.96078   0.00000   0.00005   0.00004   0.00008   0.96086
   D141       3.06144   0.00000   0.00003   0.00004   0.00007   3.06151
   D142       0.96792   0.00000   0.00005   0.00003   0.00008   0.96800
   D143      -2.19281   0.00000   0.00009   0.00002   0.00011  -2.19270
   D144      -1.15571   0.00000   0.00007   0.00002   0.00009  -1.15562
   D145       1.96675   0.00000   0.00010   0.00002   0.00012   1.96687
   D146       3.07796   0.00000   0.00005   0.00002   0.00007   3.07803
   D147      -0.08277   0.00000   0.00008   0.00001   0.00010  -0.08267
   D148      -0.88006   0.00000   0.00005   0.00000   0.00005  -0.88001
   D149       1.21519   0.00000   0.00006   0.00000   0.00006   1.21525
   D150      -2.97928   0.00000   0.00004   0.00001   0.00005  -2.97923
   D151       1.18870   0.00000   0.00004   0.00000   0.00003   1.18873
   D152      -2.99924   0.00000   0.00004   0.00000   0.00004  -2.99920
   D153      -0.91052   0.00000   0.00003   0.00000   0.00003  -0.91049
   D154      -2.98688   0.00000   0.00005   0.00000   0.00005  -2.98683
   D155      -0.89163   0.00000   0.00005   0.00000   0.00005  -0.89158
   D156       1.19709   0.00000   0.00004   0.00001   0.00005   1.19713
   D157       2.17088   0.00000  -0.00011  -0.00003  -0.00014   2.17074
   D158      -0.99079   0.00000  -0.00011  -0.00004  -0.00015  -0.99094
   D159       0.07860   0.00000  -0.00009  -0.00002  -0.00011   0.07849
   D160      -3.08307   0.00000  -0.00009  -0.00003  -0.00013  -3.08319
   D161      -1.97084   0.00000  -0.00012  -0.00002  -0.00014  -1.97098
   D162       1.15067   0.00000  -0.00012  -0.00004  -0.00015   1.15052
   D163       0.90936   0.00000   0.00004   0.00000   0.00004   0.90940
   D164      -1.21875   0.00000   0.00004   0.00000   0.00004  -1.21872
   D165       3.05556   0.00000   0.00003   0.00000   0.00003   3.05559
   D166       3.03502   0.00000   0.00003   0.00001   0.00004   3.03505
   D167       0.90690   0.00000   0.00003   0.00000   0.00004   0.90694
   D168      -1.10197   0.00000   0.00002   0.00001   0.00003  -1.10194
   D169      -1.23550   0.00000   0.00004   0.00000   0.00004  -1.23546
   D170       2.91957   0.00000   0.00004   0.00000   0.00004   2.91961
   D171       0.91070   0.00000   0.00003   0.00000   0.00003   0.91073
   D172      -0.96075   0.00000  -0.00006  -0.00003  -0.00009  -0.96084
   D173       2.19976   0.00000  -0.00010  -0.00002  -0.00012   2.19964
   D174       1.17687   0.00000  -0.00007  -0.00003  -0.00010   1.17677
   D175      -1.94580   0.00000  -0.00011  -0.00003  -0.00013  -1.94593
   D176      -3.09054   0.00000  -0.00006  -0.00003  -0.00008  -3.09062
   D177       0.06998   0.00000  -0.00009  -0.00002  -0.00012   0.06986
   D178       0.02766   0.00000   0.00002   0.00001   0.00003   0.02769
   D179      -3.12844   0.00000   0.00001   0.00001   0.00002  -3.12842
   D180      -3.13420   0.00000   0.00006   0.00000   0.00006  -3.13414
   D181      -0.00712   0.00000   0.00005   0.00000   0.00005  -0.00707
   D182      -0.27314   0.00000   0.00007  -0.00012  -0.00006  -0.27319
   D183      -2.32178   0.00000   0.00006  -0.00011  -0.00005  -2.32183
   D184       1.84709   0.00000   0.00005  -0.00011  -0.00006   1.84703
   D185       2.88867   0.00000   0.00007  -0.00012  -0.00005   2.88862
   D186       0.84003   0.00000   0.00006  -0.00011  -0.00005   0.83998
   D187      -1.27428   0.00000   0.00006  -0.00011  -0.00005  -1.27434
   D188      -0.01853   0.00000  -0.00001   0.00000  -0.00001  -0.01854
   D189       3.12697   0.00000   0.00000  -0.00001  -0.00001   3.12696
   D190      -3.13896   0.00000  -0.00001   0.00002   0.00001  -3.13895
   D191       0.00654   0.00000   0.00000   0.00001   0.00001   0.00655
   D192      -3.10238   0.00000  -0.00013  -0.00004  -0.00016  -3.10254
   D193       0.03844   0.00000  -0.00013  -0.00002  -0.00015   0.03829
   D194       0.05263   0.00000  -0.00011  -0.00004  -0.00015   0.05248
   D195      -3.08973   0.00000  -0.00011  -0.00003  -0.00014  -3.08987
   D196       3.09747   0.00000   0.00012   0.00003   0.00015   3.09762
   D197      -0.04336   0.00000   0.00012   0.00002   0.00014  -0.04322
   D198      -0.04773   0.00000   0.00011   0.00004   0.00015  -0.04758
   D199       3.09462   0.00000   0.00011   0.00003   0.00014   3.09476
         Item               Value     Threshold  Converged?
 Maximum Force            0.000018     0.000450     YES
 RMS     Force            0.000001     0.000300     YES
 Maximum Displacement     0.000842     0.001800     YES
 RMS     Displacement     0.000100     0.001200     YES
 Predicted change in Energy=-1.778141D-09
 Optimization completed.
    -- Stationary point found.
                           ----------------------------
                           !   Optimized Parameters   !
                           ! (Angstroms and Degrees)  !
 --------------------------                            --------------------------
 ! Name  Definition              Value          Derivative Info.                !
 --------------------------------------------------------------------------------
 ! R1    R(1,10)                 1.3797         -DE/DX =    0.0                 !
 ! R2    R(2,11)                 1.4353         -DE/DX =    0.0                 !
 ! R3    R(2,50)                 0.9827         -DE/DX =    0.0                 !
 ! R4    R(3,15)                 1.4368         -DE/DX =    0.0                 !
 ! R5    R(3,52)                 0.9856         -DE/DX =    0.0                 !
 ! R6    R(4,21)                 1.2099         -DE/DX =    0.0                 !
 ! R7    R(5,26)                 1.4249         -DE/DX =    0.0                 !
 ! R8    R(5,57)                 0.9911         -DE/DX =    0.0                 !
 ! R9    R(6,28)                 1.2134         -DE/DX =    0.0                 !
 ! R10   R(7,8)                  1.5602         -DE/DX =    0.0                 !
 ! R11   R(7,11)                 1.5724         -DE/DX =    0.0                 !
 ! R12   R(7,13)                 1.5345         -DE/DX =    0.0                 !
 ! R13   R(7,18)                 1.5299         -DE/DX =    0.0                 !
 ! R14   R(8,9)                  1.5338         -DE/DX =    0.0                 !
 ! R15   R(8,12)                 1.5375         -DE/DX =    0.0                 !
 ! R16   R(8,29)                 1.122          -DE/DX =    0.0                 !
 ! R17   R(9,10)                 1.5561         -DE/DX =    0.0                 !
 ! R18   R(9,17)                 1.5367         -DE/DX =    0.0                 !
 ! R19   R(9,30)                 1.1206         -DE/DX =    0.0                 !
 ! R20   R(10,15)                1.5687         -DE/DX =    0.0                 !
 ! R21   R(10,16)                1.5738         -DE/DX =    0.0                 !
 ! R22   R(11,14)                1.5658         -DE/DX =    0.0                 !
 ! R23   R(11,21)                1.5368         -DE/DX =    0.0                 !
 ! R24   R(12,14)                1.5531         -DE/DX =    0.0                 !
 ! R25   R(12,31)                1.1032         -DE/DX =    0.0                 !
 ! R26   R(12,32)                1.1014         -DE/DX =    0.0                 !
 ! R27   R(13,15)                1.5386         -DE/DX =    0.0                 !
 ! R28   R(13,33)                1.1092         -DE/DX =    0.0                 !
 ! R29   R(13,34)                1.1114         -DE/DX =    0.0                 !
 ! R30   R(14,22)                1.5223         -DE/DX =    0.0                 !
 ! R31   R(14,35)                1.1214         -DE/DX =    0.0                 !
 ! R32   R(15,36)                1.1177         -DE/DX =    0.0                 !
 ! R33   R(16,20)                1.5309         -DE/DX =    0.0                 !
 ! R34   R(16,23)                1.5398         -DE/DX =    0.0                 !
 ! R35   R(16,24)                1.5182         -DE/DX =    0.0                 !
 ! R36   R(17,19)                1.5324         -DE/DX =    0.0                 !
 ! R37   R(17,37)                1.1076         -DE/DX =    0.0                 !
 ! R38   R(17,38)                1.1092         -DE/DX =    0.0                 !
 ! R39   R(18,39)                1.0943         -DE/DX =    0.0                 !
 ! R40   R(18,40)                1.0978         -DE/DX =    0.0                 !
 ! R41   R(18,41)                1.1018         -DE/DX =    0.0                 !
 ! R42   R(19,20)                1.5026         -DE/DX =    0.0                 !
 ! R43   R(19,42)                1.1108         -DE/DX =    0.0                 !
 ! R44   R(19,43)                1.1106         -DE/DX =    0.0                 !
 ! R45   R(20,25)                1.3406         -DE/DX =    0.0                 !
 ! R46   R(21,26)                1.5178         -DE/DX =    0.0                 !
 ! R47   R(22,44)                1.0986         -DE/DX =    0.0                 !
 ! R48   R(22,45)                1.0972         -DE/DX =    0.0                 !
 ! R49   R(22,46)                1.0959         -DE/DX =    0.0                 !
 ! R50   R(23,47)                1.0979         -DE/DX =    0.0                 !
 ! R51   R(23,48)                1.1003         -DE/DX =    0.0                 !
 ! R52   R(23,49)                1.0987         -DE/DX =    0.0                 !
 ! R53   R(24,27)                1.3339         -DE/DX =    0.0                 !
 ! R54   R(24,51)                1.0915         -DE/DX =    0.0                 !
 ! R55   R(25,28)                1.4785         -DE/DX =    0.0                 !
 ! R56   R(25,53)                1.0914         -DE/DX =    0.0                 !
 ! R57   R(26,54)                1.1084         -DE/DX =    0.0                 !
 ! R58   R(26,55)                1.1113         -DE/DX =    0.0                 !
 ! R59   R(27,28)                1.4911         -DE/DX =    0.0                 !
 ! R60   R(27,56)                1.0915         -DE/DX =    0.0                 !
 ! A1    A(11,2,50)            110.5745         -DE/DX =    0.0                 !
 ! A2    A(15,3,52)            111.0665         -DE/DX =    0.0                 !
 ! A3    A(26,5,57)            110.1934         -DE/DX =    0.0                 !
 ! A4    A(8,7,11)              99.9871         -DE/DX =    0.0                 !
 ! A5    A(8,7,13)             108.2304         -DE/DX =    0.0                 !
 ! A6    A(8,7,18)             113.9336         -DE/DX =    0.0                 !
 ! A7    A(11,7,13)            115.1258         -DE/DX =    0.0                 !
 ! A8    A(11,7,18)            108.9718         -DE/DX =    0.0                 !
 ! A9    A(13,7,18)            110.3517         -DE/DX =    0.0                 !
 ! A10   A(7,8,9)              110.9478         -DE/DX =    0.0                 !
 ! A11   A(7,8,12)             104.1402         -DE/DX =    0.0                 !
 ! A12   A(7,8,29)             108.1227         -DE/DX =    0.0                 !
 ! A13   A(9,8,12)             118.9275         -DE/DX =    0.0                 !
 ! A14   A(9,8,29)             107.7436         -DE/DX =    0.0                 !
 ! A15   A(12,8,29)            106.4716         -DE/DX =    0.0                 !
 ! A16   A(8,9,10)             108.6468         -DE/DX =    0.0                 !
 ! A17   A(8,9,17)             111.0934         -DE/DX =    0.0                 !
 ! A18   A(8,9,30)             109.3438         -DE/DX =    0.0                 !
 ! A19   A(10,9,17)            111.5869         -DE/DX =    0.0                 !
 ! A20   A(10,9,30)            107.1175         -DE/DX =    0.0                 !
 ! A21   A(17,9,30)            108.9523         -DE/DX =    0.0                 !
 ! A22   A(1,10,9)             108.1022         -DE/DX =    0.0                 !
 ! A23   A(1,10,15)            103.4363         -DE/DX =    0.0                 !
 ! A24   A(1,10,16)            104.5197         -DE/DX =    0.0                 !
 ! A25   A(9,10,15)            113.4342         -DE/DX =    0.0                 !
 ! A26   A(9,10,16)            111.4175         -DE/DX =    0.0                 !
 ! A27   A(15,10,16)           114.9599         -DE/DX =    0.0                 !
 ! A28   A(2,11,7)             110.0193         -DE/DX =    0.0                 !
 ! A29   A(2,11,14)            113.1576         -DE/DX =    0.0                 !
 ! A30   A(2,11,21)            102.7007         -DE/DX =    0.0                 !
 ! A31   A(7,11,14)            104.51           -DE/DX =    0.0                 !
 ! A32   A(7,11,21)            113.9627         -DE/DX =    0.0                 !
 ! A33   A(14,11,21)           112.7486         -DE/DX =    0.0                 !
 ! A34   A(8,12,14)            104.989          -DE/DX =    0.0                 !
 ! A35   A(8,12,31)            111.6298         -DE/DX =    0.0                 !
 ! A36   A(8,12,32)            111.7136         -DE/DX =    0.0                 !
 ! A37   A(14,12,31)           110.5449         -DE/DX =    0.0                 !
 ! A38   A(14,12,32)           111.9889         -DE/DX =    0.0                 !
 ! A39   A(31,12,32)           106.0902         -DE/DX =    0.0                 !
 ! A40   A(7,13,15)            112.4509         -DE/DX =    0.0                 !
 ! A41   A(7,13,33)            110.3883         -DE/DX =    0.0                 !
 ! A42   A(7,13,34)            109.9923         -DE/DX =    0.0                 !
 ! A43   A(15,13,33)           110.0741         -DE/DX =    0.0                 !
 ! A44   A(15,13,34)           107.8615         -DE/DX =    0.0                 !
 ! A45   A(33,13,34)           105.8305         -DE/DX =    0.0                 !
 ! A46   A(11,14,12)           106.2037         -DE/DX =    0.0                 !
 ! A47   A(11,14,22)           112.7255         -DE/DX =    0.0                 !
 ! A48   A(11,14,35)           107.3456         -DE/DX =    0.0                 !
 ! A49   A(12,14,22)           113.0242         -DE/DX =    0.0                 !
 ! A50   A(12,14,35)           108.8364         -DE/DX =    0.0                 !
 ! A51   A(22,14,35)           108.4996         -DE/DX =    0.0                 !
 ! A52   A(3,15,10)            111.1536         -DE/DX =    0.0                 !
 ! A53   A(3,15,13)            104.0775         -DE/DX =    0.0                 !
 ! A54   A(3,15,36)            107.7825         -DE/DX =    0.0                 !
 ! A55   A(10,15,13)           115.0097         -DE/DX =    0.0                 !
 ! A56   A(10,15,36)           109.2718         -DE/DX =    0.0                 !
 ! A57   A(13,15,36)           109.2358         -DE/DX =    0.0                 !
 ! A58   A(10,16,20)           107.854          -DE/DX =    0.0                 !
 ! A59   A(10,16,23)           112.7756         -DE/DX =    0.0                 !
 ! A60   A(10,16,24)           109.614          -DE/DX =    0.0                 !
 ! A61   A(20,16,23)           107.1575         -DE/DX =    0.0                 !
 ! A62   A(20,16,24)           112.3226         -DE/DX =    0.0                 !
 ! A63   A(23,16,24)           107.1642         -DE/DX =    0.0                 !
 ! A64   A(9,17,19)            112.0124         -DE/DX =    0.0                 !
 ! A65   A(9,17,37)            109.5883         -DE/DX =    0.0                 !
 ! A66   A(9,17,38)            110.4425         -DE/DX =    0.0                 !
 ! A67   A(19,17,37)           109.5036         -DE/DX =    0.0                 !
 ! A68   A(19,17,38)           109.5225         -DE/DX =    0.0                 !
 ! A69   A(37,17,38)           105.5662         -DE/DX =    0.0                 !
 ! A70   A(7,18,39)            112.9345         -DE/DX =    0.0                 !
 ! A71   A(7,18,40)            111.7972         -DE/DX =    0.0                 !
 ! A72   A(7,18,41)            111.0761         -DE/DX =    0.0                 !
 ! A73   A(39,18,40)           107.3368         -DE/DX =    0.0                 !
 ! A74   A(39,18,41)           108.004          -DE/DX =    0.0                 !
 ! A75   A(40,18,41)           105.3026         -DE/DX =    0.0                 !
 ! A76   A(17,19,20)           111.2222         -DE/DX =    0.0                 !
 ! A77   A(17,19,42)           110.5108         -DE/DX =    0.0                 !
 ! A78   A(17,19,43)           109.3758         -DE/DX =    0.0                 !
 ! A79   A(20,19,42)           109.5695         -DE/DX =    0.0                 !
 ! A80   A(20,19,43)           111.0049         -DE/DX =    0.0                 !
 ! A81   A(42,19,43)           104.9846         -DE/DX =    0.0                 !
 ! A82   A(16,20,19)           115.6357         -DE/DX =    0.0                 !
 ! A83   A(16,20,25)           122.693          -DE/DX =    0.0                 !
 ! A84   A(19,20,25)           121.662          -DE/DX =    0.0                 !
 ! A85   A(4,21,11)            122.5587         -DE/DX =    0.0                 !
 ! A86   A(4,21,26)            121.2485         -DE/DX =    0.0                 !
 ! A87   A(11,21,26)           116.1822         -DE/DX =    0.0                 !
 ! A88   A(14,22,44)           111.2201         -DE/DX =    0.0                 !
 ! A89   A(14,22,45)           111.0773         -DE/DX =    0.0                 !
 ! A90   A(14,22,46)           112.6633         -DE/DX =    0.0                 !
 ! A91   A(44,22,45)           107.1511         -DE/DX =    0.0                 !
 ! A92   A(44,22,46)           107.198          -DE/DX =    0.0                 !
 ! A93   A(45,22,46)           107.2545         -DE/DX =    0.0                 !
 ! A94   A(16,23,47)           111.908          -DE/DX =    0.0                 !
 ! A95   A(16,23,48)           112.4074         -DE/DX =    0.0                 !
 ! A96   A(16,23,49)           110.8673         -DE/DX =    0.0                 !
 ! A97   A(47,23,48)           106.6947         -DE/DX =    0.0                 !
 ! A98   A(47,23,49)           107.7086         -DE/DX =    0.0                 !
 ! A99   A(48,23,49)           106.9713         -DE/DX =    0.0                 !
 ! A100  A(16,24,27)           123.9606         -DE/DX =    0.0                 !
 ! A101  A(16,24,51)           115.1739         -DE/DX =    0.0                 !
 ! A102  A(27,24,51)           120.8554         -DE/DX =    0.0                 !
 ! A103  A(20,25,28)           123.0833         -DE/DX =    0.0                 !
 ! A104  A(20,25,53)           122.5906         -DE/DX =    0.0                 !
 ! A105  A(28,25,53)           114.3214         -DE/DX =    0.0                 !
 ! A106  A(5,26,21)            111.4943         -DE/DX =    0.0                 !
 ! A107  A(5,26,54)            104.6381         -DE/DX =    0.0                 !
 ! A108  A(5,26,55)            109.2066         -DE/DX =    0.0                 !
 ! A109  A(21,26,54)           112.7714         -DE/DX =    0.0                 !
 ! A110  A(21,26,55)           110.2564         -DE/DX =    0.0                 !
 ! A111  A(54,26,55)           108.2609         -DE/DX =    0.0                 !
 ! A112  A(24,27,28)           122.1348         -DE/DX =    0.0                 !
 ! A113  A(24,27,56)           123.0262         -DE/DX =    0.0                 !
 ! A114  A(28,27,56)           114.8386         -DE/DX =    0.0                 !
 ! A115  A(6,28,25)            122.7172         -DE/DX =    0.0                 !
 ! A116  A(6,28,27)            121.6946         -DE/DX =    0.0                 !
 ! A117  A(25,28,27)           115.5882         -DE/DX =    0.0                 !
 ! D1    D(50,2,11,7)          -77.3007         -DE/DX =    0.0                 !
 ! D2    D(50,2,11,14)          39.1784         -DE/DX =    0.0                 !
 ! D3    D(50,2,11,21)         161.0165         -DE/DX =    0.0                 !
 ! D4    D(52,3,15,10)         -70.8263         -DE/DX =    0.0                 !
 ! D5    D(52,3,15,13)         164.814          -DE/DX =    0.0                 !
 ! D6    D(52,3,15,36)          48.8933         -DE/DX =    0.0                 !
 ! D7    D(57,5,26,21)          30.6804         -DE/DX =    0.0                 !
 ! D8    D(57,5,26,54)         152.8751         -DE/DX =    0.0                 !
 ! D9    D(57,5,26,55)         -91.4074         -DE/DX =    0.0                 !
 ! D10   D(11,7,8,9)           173.8796         -DE/DX =    0.0                 !
 ! D11   D(11,7,8,12)           44.788          -DE/DX =    0.0                 !
 ! D12   D(11,7,8,29)          -68.1737         -DE/DX =    0.0                 !
 ! D13   D(13,7,8,9)           -65.3282         -DE/DX =    0.0                 !
 ! D14   D(13,7,8,12)          165.5802         -DE/DX =    0.0                 !
 ! D15   D(13,7,8,29)           52.6185         -DE/DX =    0.0                 !
 ! D16   D(18,7,8,9)            57.8192         -DE/DX =    0.0                 !
 ! D17   D(18,7,8,12)          -71.2724         -DE/DX =    0.0                 !
 ! D18   D(18,7,8,29)          175.766          -DE/DX =    0.0                 !
 ! D19   D(8,7,11,2)            83.247          -DE/DX =    0.0                 !
 ! D20   D(8,7,11,14)          -38.5315         -DE/DX =    0.0                 !
 ! D21   D(8,7,11,21)         -162.0445         -DE/DX =    0.0                 !
 ! D22   D(13,7,11,2)          -32.4388         -DE/DX =    0.0                 !
 ! D23   D(13,7,11,14)        -154.2173         -DE/DX =    0.0                 !
 ! D24   D(13,7,11,21)          82.2696         -DE/DX =    0.0                 !
 ! D25   D(18,7,11,2)         -157.0094         -DE/DX =    0.0                 !
 ! D26   D(18,7,11,14)          81.2121         -DE/DX =    0.0                 !
 ! D27   D(18,7,11,21)         -42.3009         -DE/DX =    0.0                 !
 ! D28   D(8,7,13,15)           55.3028         -DE/DX =    0.0                 !
 ! D29   D(8,7,13,33)          -68.0491         -DE/DX =    0.0                 !
 ! D30   D(8,7,13,34)          175.5336         -DE/DX =    0.0                 !
 ! D31   D(11,7,13,15)         166.1664         -DE/DX =    0.0                 !
 ! D32   D(11,7,13,33)          42.8145         -DE/DX =    0.0                 !
 ! D33   D(11,7,13,34)         -73.6027         -DE/DX =    0.0                 !
 ! D34   D(18,7,13,15)         -69.9883         -DE/DX =    0.0                 !
 ! D35   D(18,7,13,33)         166.6598         -DE/DX =    0.0                 !
 ! D36   D(18,7,13,34)          50.2425         -DE/DX =    0.0                 !
 ! D37   D(8,7,18,39)           58.2853         -DE/DX =    0.0                 !
 ! D38   D(8,7,18,40)          179.463          -DE/DX =    0.0                 !
 ! D39   D(8,7,18,41)          -63.2311         -DE/DX =    0.0                 !
 ! D40   D(11,7,18,39)         -52.3993         -DE/DX =    0.0                 !
 ! D41   D(11,7,18,40)          68.7784         -DE/DX =    0.0                 !
 ! D42   D(11,7,18,41)        -173.9157         -DE/DX =    0.0                 !
 ! D43   D(13,7,18,39)        -179.7299         -DE/DX =    0.0                 !
 ! D44   D(13,7,18,40)         -58.5521         -DE/DX =    0.0                 !
 ! D45   D(13,7,18,41)          58.7537         -DE/DX =    0.0                 !
 ! D46   D(7,8,9,10)            62.2181         -DE/DX =    0.0                 !
 ! D47   D(7,8,9,17)          -174.6652         -DE/DX =    0.0                 !
 ! D48   D(7,8,9,30)           -54.3771         -DE/DX =    0.0                 !
 ! D49   D(12,8,9,10)         -177.0885         -DE/DX =    0.0                 !
 ! D50   D(12,8,9,17)          -53.9719         -DE/DX =    0.0                 !
 ! D51   D(12,8,9,30)           66.3162         -DE/DX =    0.0                 !
 ! D52   D(29,8,9,10)          -55.9588         -DE/DX =    0.0                 !
 ! D53   D(29,8,9,17)           67.1579         -DE/DX =    0.0                 !
 ! D54   D(29,8,9,30)         -172.554          -DE/DX =    0.0                 !
 ! D55   D(7,8,12,14)          -33.9486         -DE/DX =    0.0                 !
 ! D56   D(7,8,12,31)           85.8525         -DE/DX =    0.0                 !
 ! D57   D(7,8,12,32)         -155.5389         -DE/DX =    0.0                 !
 ! D58   D(9,8,12,14)         -158.0374         -DE/DX =    0.0                 !
 ! D59   D(9,8,12,31)          -38.2363         -DE/DX =    0.0                 !
 ! D60   D(9,8,12,32)           80.3723         -DE/DX =    0.0                 !
 ! D61   D(29,8,12,14)          80.1927         -DE/DX =    0.0                 !
 ! D62   D(29,8,12,31)        -160.0062         -DE/DX =    0.0                 !
 ! D63   D(29,8,12,32)         -41.3976         -DE/DX =    0.0                 !
 ! D64   D(8,9,10,1)            63.9689         -DE/DX =    0.0                 !
 ! D65   D(8,9,10,15)          -50.1186         -DE/DX =    0.0                 !
 ! D66   D(8,9,10,16)          178.2716         -DE/DX =    0.0                 !
 ! D67   D(17,9,10,1)          -58.8506         -DE/DX =    0.0                 !
 ! D68   D(17,9,10,15)        -172.9381         -DE/DX =    0.0                 !
 ! D69   D(17,9,10,16)          55.4521         -DE/DX =    0.0                 !
 ! D70   D(30,9,10,1)         -178.0154         -DE/DX =    0.0                 !
 ! D71   D(30,9,10,15)          67.8971         -DE/DX =    0.0                 !
 ! D72   D(30,9,10,16)         -63.7127         -DE/DX =    0.0                 !
 ! D73   D(8,9,17,19)         -174.9819         -DE/DX =    0.0                 !
 ! D74   D(8,9,17,37)           63.2755         -DE/DX =    0.0                 !
 ! D75   D(8,9,17,38)          -52.6129         -DE/DX =    0.0                 !
 ! D76   D(10,9,17,19)         -53.5714         -DE/DX =    0.0                 !
 ! D77   D(10,9,17,37)        -175.314          -DE/DX =    0.0                 !
 ! D78   D(10,9,17,38)          68.7976         -DE/DX =    0.0                 !
 ! D79   D(30,9,17,19)          64.4984         -DE/DX =    0.0                 !
 ! D80   D(30,9,17,37)         -57.2442         -DE/DX =    0.0                 !
 ! D81   D(30,9,17,38)        -173.1326         -DE/DX =    0.0                 !
 ! D82   D(1,10,15,3)          168.4082         -DE/DX =    0.0                 !
 ! D83   D(1,10,15,13)         -73.6673         -DE/DX =    0.0                 !
 ! D84   D(1,10,15,36)          49.5789         -DE/DX =    0.0                 !
 ! D85   D(9,10,15,3)          -74.7372         -DE/DX =    0.0                 !
 ! D86   D(9,10,15,13)          43.1872         -DE/DX =    0.0                 !
 ! D87   D(9,10,15,36)         166.4334         -DE/DX =    0.0                 !
 ! D88   D(16,10,15,3)          55.1097         -DE/DX =    0.0                 !
 ! D89   D(16,10,15,13)        173.0342         -DE/DX =    0.0                 !
 ! D90   D(16,10,15,36)        -63.7196         -DE/DX =    0.0                 !
 ! D91   D(1,10,16,20)          62.2539         -DE/DX =    0.0                 !
 ! D92   D(1,10,16,23)        -179.6226         -DE/DX =    0.0                 !
 ! D93   D(1,10,16,24)         -60.3212         -DE/DX =    0.0                 !
 ! D94   D(9,10,16,20)         -54.2564         -DE/DX =    0.0                 !
 ! D95   D(9,10,16,23)          63.8671         -DE/DX =    0.0                 !
 ! D96   D(9,10,16,24)        -176.8315         -DE/DX =    0.0                 !
 ! D97   D(15,10,16,20)        174.9165         -DE/DX =    0.0                 !
 ! D98   D(15,10,16,23)        -66.96           -DE/DX =    0.0                 !
 ! D99   D(15,10,16,24)         52.3414         -DE/DX =    0.0                 !
 ! D100  D(2,11,14,12)        -100.9028         -DE/DX =    0.0                 !
 ! D101  D(2,11,14,22)          23.381          -DE/DX =    0.0                 !
 ! D102  D(2,11,14,35)         142.8013         -DE/DX =    0.0                 !
 ! D103  D(7,11,14,12)          18.7868         -DE/DX =    0.0                 !
 ! D104  D(7,11,14,22)         143.0706         -DE/DX =    0.0                 !
 ! D105  D(7,11,14,35)         -97.5091         -DE/DX =    0.0                 !
 ! D106  D(21,11,14,12)        143.0799         -DE/DX =    0.0                 !
 ! D107  D(21,11,14,22)        -92.6362         -DE/DX =    0.0                 !
 ! D108  D(21,11,14,35)         26.784          -DE/DX =    0.0                 !
 ! D109  D(2,11,21,4)         -150.9806         -DE/DX =    0.0                 !
 ! D110  D(2,11,21,26)          27.8443         -DE/DX =    0.0                 !
 ! D111  D(7,11,21,4)           90.0602         -DE/DX =    0.0                 !
 ! D112  D(7,11,21,26)         -91.115          -DE/DX =    0.0                 !
 ! D113  D(14,11,21,4)         -28.8651         -DE/DX =    0.0                 !
 ! D114  D(14,11,21,26)        149.9598         -DE/DX =    0.0                 !
 ! D115  D(8,12,14,11)           9.0891         -DE/DX =    0.0                 !
 ! D116  D(8,12,14,22)        -115.0093         -DE/DX =    0.0                 !
 ! D117  D(8,12,14,35)         124.3771         -DE/DX =    0.0                 !
 ! D118  D(31,12,14,11)       -111.4319         -DE/DX =    0.0                 !
 ! D119  D(31,12,14,22)        124.4697         -DE/DX =    0.0                 !
 ! D120  D(31,12,14,35)          3.8561         -DE/DX =    0.0                 !
 ! D121  D(32,12,14,11)        130.4993         -DE/DX =    0.0                 !
 ! D122  D(32,12,14,22)          6.4009         -DE/DX =    0.0                 !
 ! D123  D(32,12,14,35)       -114.2127         -DE/DX =    0.0                 !
 ! D124  D(7,13,15,3)           75.9452         -DE/DX =    0.0                 !
 ! D125  D(7,13,15,10)         -45.893          -DE/DX =    0.0                 !
 ! D126  D(7,13,15,36)        -169.1583         -DE/DX =    0.0                 !
 ! D127  D(33,13,15,3)        -160.5275         -DE/DX =    0.0                 !
 ! D128  D(33,13,15,10)         77.6343         -DE/DX =    0.0                 !
 ! D129  D(33,13,15,36)        -45.6311         -DE/DX =    0.0                 !
 ! D130  D(34,13,15,3)         -45.5093         -DE/DX =    0.0                 !
 ! D131  D(34,13,15,10)       -167.3475         -DE/DX =    0.0                 !
 ! D132  D(34,13,15,36)         69.3872         -DE/DX =    0.0                 !
 ! D133  D(11,14,22,44)         54.5447         -DE/DX =    0.0                 !
 ! D134  D(11,14,22,45)        173.7979         -DE/DX =    0.0                 !
 ! D135  D(11,14,22,46)        -65.8431         -DE/DX =    0.0                 !
 ! D136  D(12,14,22,44)        174.9903         -DE/DX =    0.0                 !
 ! D137  D(12,14,22,45)        -65.7565         -DE/DX =    0.0                 !
 ! D138  D(12,14,22,46)         54.6025         -DE/DX =    0.0                 !
 ! D139  D(35,14,22,44)        -64.2045         -DE/DX =    0.0                 !
 ! D140  D(35,14,22,45)         55.0487         -DE/DX =    0.0                 !
 ! D141  D(35,14,22,46)        175.4077         -DE/DX =    0.0                 !
 ! D142  D(10,16,20,19)         55.4578         -DE/DX =    0.0                 !
 ! D143  D(10,16,20,25)       -125.6387         -DE/DX =    0.0                 !
 ! D144  D(23,16,20,19)        -66.2171         -DE/DX =    0.0                 !
 ! D145  D(23,16,20,25)        112.6864         -DE/DX =    0.0                 !
 ! D146  D(24,16,20,19)        176.3543         -DE/DX =    0.0                 !
 ! D147  D(24,16,20,25)         -4.7422         -DE/DX =    0.0                 !
 ! D148  D(10,16,23,47)        -50.4237         -DE/DX =    0.0                 !
 ! D149  D(10,16,23,48)         69.6252         -DE/DX =    0.0                 !
 ! D150  D(10,16,23,49)       -170.7001         -DE/DX =    0.0                 !
 ! D151  D(20,16,23,47)         68.1073         -DE/DX =    0.0                 !
 ! D152  D(20,16,23,48)       -171.8438         -DE/DX =    0.0                 !
 ! D153  D(20,16,23,49)        -52.1691         -DE/DX =    0.0                 !
 ! D154  D(24,16,23,47)       -171.1355         -DE/DX =    0.0                 !
 ! D155  D(24,16,23,48)        -51.0867         -DE/DX =    0.0                 !
 ! D156  D(24,16,23,49)         68.588          -DE/DX =    0.0                 !
 ! D157  D(10,16,24,27)        124.3821         -DE/DX =    0.0                 !
 ! D158  D(10,16,24,51)        -56.7681         -DE/DX =    0.0                 !
 ! D159  D(20,16,24,27)          4.5035         -DE/DX =    0.0                 !
 ! D160  D(20,16,24,51)       -176.6466         -DE/DX =    0.0                 !
 ! D161  D(23,16,24,27)       -112.9211         -DE/DX =    0.0                 !
 ! D162  D(23,16,24,51)         65.9288         -DE/DX =    0.0                 !
 ! D163  D(9,17,19,20)          52.1025         -DE/DX =    0.0                 !
 ! D164  D(9,17,19,42)         -69.8293         -DE/DX =    0.0                 !
 ! D165  D(9,17,19,43)         175.0709         -DE/DX =    0.0                 !
 ! D166  D(37,17,19,20)        173.8936         -DE/DX =    0.0                 !
 ! D167  D(37,17,19,42)         51.9618         -DE/DX =    0.0                 !
 ! D168  D(37,17,19,43)        -63.138          -DE/DX =    0.0                 !
 ! D169  D(38,17,19,20)        -70.789          -DE/DX =    0.0                 !
 ! D170  D(38,17,19,42)        167.2792         -DE/DX =    0.0                 !
 ! D171  D(38,17,19,43)         52.1794         -DE/DX =    0.0                 !
 ! D172  D(17,19,20,16)        -55.047          -DE/DX =    0.0                 !
 ! D173  D(17,19,20,25)        126.0372         -DE/DX =    0.0                 !
 ! D174  D(42,19,20,16)         67.4299         -DE/DX =    0.0                 !
 ! D175  D(42,19,20,25)       -111.4859         -DE/DX =    0.0                 !
 ! D176  D(43,19,20,16)       -177.0749         -DE/DX =    0.0                 !
 ! D177  D(43,19,20,25)          4.0093         -DE/DX =    0.0                 !
 ! D178  D(16,20,25,28)          1.585          -DE/DX =    0.0                 !
 ! D179  D(16,20,25,53)       -179.2466         -DE/DX =    0.0                 !
 ! D180  D(19,20,25,28)       -179.5765         -DE/DX =    0.0                 !
 ! D181  D(19,20,25,53)         -0.408          -DE/DX =    0.0                 !
 ! D182  D(4,21,26,5)          -15.6497         -DE/DX =    0.0                 !
 ! D183  D(4,21,26,54)        -133.0282         -DE/DX =    0.0                 !
 ! D184  D(4,21,26,55)         105.8304         -DE/DX =    0.0                 !
 ! D185  D(11,21,26,5)         165.5089         -DE/DX =    0.0                 !
 ! D186  D(11,21,26,54)         48.1303         -DE/DX =    0.0                 !
 ! D187  D(11,21,26,55)        -73.0111         -DE/DX =    0.0                 !
 ! D188  D(16,24,27,28)         -1.0619         -DE/DX =    0.0                 !
 ! D189  D(16,24,27,56)        179.1622         -DE/DX =    0.0                 !
 ! D190  D(51,24,27,28)       -179.8493         -DE/DX =    0.0                 !
 ! D191  D(51,24,27,56)          0.3747         -DE/DX =    0.0                 !
 ! D192  D(20,25,28,6)        -177.7532         -DE/DX =    0.0                 !
 ! D193  D(20,25,28,27)          2.2026         -DE/DX =    0.0                 !
 ! D194  D(53,25,28,6)           3.0156         -DE/DX =    0.0                 !
 ! D195  D(53,25,28,27)       -177.0285         -DE/DX =    0.0                 !
 ! D196  D(24,27,28,6)         177.4721         -DE/DX =    0.0                 !
 ! D197  D(24,27,28,25)         -2.4843         -DE/DX =    0.0                 !
 ! D198  D(56,27,28,6)          -2.7349         -DE/DX =    0.0                 !
 ! D199  D(56,27,28,25)        177.3087         -DE/DX =    0.0                 !
 --------------------------------------------------------------------------------
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C22H29FO5
 Framework group  C1[X(C22H29FO5)]
 Deg. of freedom   165
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          9           0        1.537314    0.051789   -1.390919
      2          8           0       -3.018629    0.240505   -1.811052
      3          8           0        0.337123   -2.204641    1.135872
      4          8           0       -4.876509   -0.146958    1.046008
      5          8           0       -5.559214   -2.441272   -0.207983
      6          8           0        6.484792   -0.156823   -1.400140
      7          6           0       -1.652791   -0.132852    0.207058
      8          6           0       -0.752677    1.122182   -0.013988
      9          6           0        0.627616    0.926580    0.625629
     10          6           0        1.330876   -0.276497   -0.066819
     11          6           0       -3.009836    0.397264   -0.384356
     12          6           0       -1.627481    2.298261    0.450129
     13          6           0       -1.027772   -1.311451   -0.551231
     14          6           0       -3.078294    1.893788    0.071120
     15          6           0        0.435075   -1.561866   -0.145345
     16          6           0        2.775804   -0.508378    0.512105
     17          6           0        1.470092    2.207888    0.525627
     18          6           0       -1.859919   -0.496686    1.678583
     19          6           0        2.895958    1.999910    1.047085
     20          6           0        3.544687    0.810469    0.397259
     21          6           0       -4.240055   -0.413643    0.052233
     22          6           0       -3.693194    2.802208   -0.984356
     23          6           0        2.765566   -0.900011    2.001196
     24          6           0        3.452369   -1.637974   -0.243601
     25          6           0        4.730777    0.905780   -0.220343
     26          6           0       -4.638733   -1.565153   -0.852661
     27          6           0        4.630592   -1.522561   -0.858242
     28          6           0        5.393000   -0.241234   -0.877467
     29          1           0       -0.602377    1.253789   -1.118075
     30          1           0        0.501280    0.657480    1.706056
     31          1           0       -1.543170    2.463421    1.537642
     32          1           0       -1.325142    3.243956   -0.026582
     33          1           0       -1.096231   -1.146545   -1.645946
     34          1           0       -1.601815   -2.241227   -0.348203
     35          1           0       -3.717629    1.934212    0.991583
     36          1           0        0.895565   -2.289473   -0.857972
     37          1           0        0.981233    3.019448    1.099345
     38          1           0        1.507641    2.565952   -0.523523
     39          1           0       -2.309183    0.314729    2.259313
     40          1           0       -2.504943   -1.377470    1.793824
     41          1           0       -0.905916   -0.770281    2.157169
     42          1           0        2.891350    1.865056    2.149680
     43          1           0        3.490101    2.921975    0.873036
     44          1           0       -4.682492    2.438728   -1.294356
     45          1           0       -3.828911    3.820206   -0.598222
     46          1           0       -3.077602    2.876663   -1.887906
     47          1           0        2.156456   -0.211621    2.601649
     48          1           0        2.358531   -1.908730    2.166791
     49          1           0        3.783472   -0.893051    2.414711
     50          1           0       -2.476052    0.939443   -2.238627
     51          1           0        2.913183   -2.586959   -0.240515
     52          1           0        1.191467   -2.627562    1.386314
     53          1           0        5.283141    1.844496   -0.290825
     54          1           0       -3.781431   -2.212017   -1.126815
     55          1           0       -5.096419   -1.178363   -1.788607
     56          1           0        5.109563   -2.349041   -1.386311
     57          1           0       -6.119961   -1.935954    0.434316
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.4207937      0.1032141      0.0948053

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --   -1.52179  -1.19411  -1.16348  -1.16084  -1.14359
 Alpha  occ. eigenvalues --   -1.11030  -1.09756  -1.09055  -1.05552  -1.03942
 Alpha  occ. eigenvalues --   -1.01274  -0.99633  -0.97592  -0.96606  -0.93824
 Alpha  occ. eigenvalues --   -0.91037  -0.89837  -0.88010  -0.85188  -0.82475
 Alpha  occ. eigenvalues --   -0.80800  -0.79152  -0.77030  -0.75601  -0.72639
 Alpha  occ. eigenvalues --   -0.72055  -0.69924  -0.68084  -0.67074  -0.65795
 Alpha  occ. eigenvalues --   -0.64272  -0.63090  -0.62876  -0.61591  -0.61363
 Alpha  occ. eigenvalues --   -0.60845  -0.60407  -0.59431  -0.58371  -0.57394
 Alpha  occ. eigenvalues --   -0.57000  -0.56526  -0.56309  -0.54802  -0.54389
 Alpha  occ. eigenvalues --   -0.53832  -0.53726  -0.53341  -0.52886  -0.52528
 Alpha  occ. eigenvalues --   -0.52256  -0.51717  -0.51136  -0.50880  -0.50296
 Alpha  occ. eigenvalues --   -0.50137  -0.49156  -0.48738  -0.48609  -0.47953
 Alpha  occ. eigenvalues --   -0.47797  -0.47274  -0.46868  -0.46069  -0.45221
 Alpha  occ. eigenvalues --   -0.44605  -0.44401  -0.43758  -0.42896  -0.42398
 Alpha  occ. eigenvalues --   -0.40508  -0.40471  -0.39814  -0.39578  -0.38635
 Alpha  occ. eigenvalues --   -0.37367  -0.37112
 Alpha virt. eigenvalues --   -0.02715  -0.00351   0.01214   0.06044   0.06718
 Alpha virt. eigenvalues --    0.06754   0.07638   0.08378   0.08562   0.08749
 Alpha virt. eigenvalues --    0.09132   0.09586   0.09992   0.10515   0.10856
 Alpha virt. eigenvalues --    0.11144   0.11356   0.11823   0.12062   0.12400
 Alpha virt. eigenvalues --    0.12631   0.12710   0.12966   0.13664   0.13967
 Alpha virt. eigenvalues --    0.14070   0.14371   0.14617   0.15254   0.15400
 Alpha virt. eigenvalues --    0.15569   0.15582   0.16237   0.16468   0.17212
 Alpha virt. eigenvalues --    0.17496   0.17890   0.17986   0.18076   0.18435
 Alpha virt. eigenvalues --    0.18712   0.18879   0.18988   0.19058   0.19306
 Alpha virt. eigenvalues --    0.19339   0.19492   0.19723   0.19918   0.20232
 Alpha virt. eigenvalues --    0.20529   0.20719   0.20803   0.21100   0.21124
 Alpha virt. eigenvalues --    0.21192   0.21237   0.21404   0.21845   0.21938
 Alpha virt. eigenvalues --    0.21986   0.22235   0.23231   0.25036
          Condensed to atoms (all electrons):
 Mulliken atomic charges:
              1
     1  F   -0.211575
     2  O   -0.567658
     3  O   -0.558711
     4  O   -0.461496
     5  O   -0.524434
     6  O   -0.482137
     7  C    0.121653
     8  C   -0.134980
     9  C   -0.132848
    10  C    0.159122
    11  C    0.110415
    12  C   -0.308811
    13  C   -0.348314
    14  C   -0.086889
    15  C    0.134914
    16  C    0.003041
    17  C   -0.258188
    18  C   -0.518950
    19  C   -0.323962
    20  C    0.182165
    21  C    0.453300
    22  C   -0.483795
    23  C   -0.476933
    24  C   -0.082483
    25  C   -0.443620
    26  C   -0.130260
    27  C   -0.328866
    28  C    0.579937
    29  H    0.137193
    30  H    0.154768
    31  H    0.145960
    32  H    0.143765
    33  H    0.169044
    34  H    0.172380
    35  H    0.158053
    36  H    0.118666
    37  H    0.140826
    38  H    0.151946
    39  H    0.161748
    40  H    0.168001
    41  H    0.183171
    42  H    0.158120
    43  H    0.159135
    44  H    0.164485
    45  H    0.159808
    46  H    0.147738
    47  H    0.169571
    48  H    0.151813
    49  H    0.171013
    50  H    0.328825
    51  H    0.139366
    52  H    0.306915
    53  H    0.195287
    54  H    0.180408
    55  H    0.170599
    56  H    0.185947
    57  H    0.325814
 Sum of Mulliken atomic charges =   0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
              1
     1  F   -0.211575
     2  O   -0.238832
     3  O   -0.251796
     4  O   -0.461496
     5  O   -0.198620
     6  O   -0.482137
     7  C    0.121653
     8  C    0.002212
     9  C    0.021920
    10  C    0.159122
    11  C    0.110415
    12  C   -0.019086
    13  C   -0.006890
    14  C    0.071164
    15  C    0.253580
    16  C    0.003041
    17  C    0.034584
    18  C   -0.006030
    19  C   -0.006707
    20  C    0.182165
    21  C    0.453300
    22  C   -0.011765
    23  C    0.015464
    24  C    0.056883
    25  C   -0.248333
    26  C    0.220747
    27  C   -0.142918
    28  C    0.579937
 Sum of Mulliken charges with hydrogens summed into heavy atoms =   0.00000
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.7776    Y=              2.8558    Z=              2.1174  Tot=              3.6392
 N-N= 1.659888964819D+03 E-N=-2.887135189090D+03  KE=-3.296392101765D+02
 1|1|UNPC-DESKTOP-79UADGC|FOpt|RPM6|ZDO|C22H29F1O5|ALEJANDRO MORALES|23
 -Feb-2022|0||# opt pm6 geom=connectivity||Molecule Name||0,1|F,1.47036
 7831,0.065589344,1.325471242|O,-3.0807412438,0.0013238162,1.8274789418
 |O,0.2728505687,2.1672974144,-1.3326082788|O,-4.9781751025,0.229892713
 3,-1.020702564|O,-5.5943378842,2.6188185444,0.0819456575|O,6.420462417
 ,0.1710840402,1.2443576002|C,-1.7417712962,0.2063155198,-0.2323304665|
 C,-0.8630506551,-1.0490311563,0.0611464648|C,0.5099360556,-0.926755749
 9,-0.6115613637|C,1.248317195,0.3061950608,-0.014839416|C,-3.098931974
 ,-0.2534114298,0.4150724767|C,-1.7685621181,-2.2357598142,-0.307054447
 2|C,-1.0809866431,1.4210158098,0.4329611516|C,-3.2045541724,-1.7759815
 894,0.0652837838|C,0.379521623,1.6123280569,-0.0116606485|C,2.68764997
 11,0.4674855796,-0.6305068298|C,1.3284937633,-2.2154381,-0.4361239113|
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 ANYONE WHO IS NOT SHOCKED BY QUANTUM THEORY HAS
 NOT UNDERSTOOD IT. -- NIELS BOHR(1885-1962)
 Job cpu time:  0 days  0 hours  1 minutes 13.0 seconds.
 File lengths (MBytes):  RWF=     14 Int=      0 D2E=      0 Chk=      6 Scr=      1
 Normal termination of Gaussian 09 at Wed Feb 23 10:46:53 2022.
